acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol

C85H108F6N24O16S2 — CID 158746036

IUPACacetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol
SMILESC.C.CC(=O)O.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(S(C)(=O)=O)nc(S(C)(=O)=O)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(F)(CN)C4(COC4)C3)c12.Cc1ncc(O)cn1.Cc1ncc(Oc2nc(N3CC(F)(CN)C4(COC4)C3)c3c(n2)[nH]c2c(N(C)C(=O)OC(C)(C)C)cc(F)cc23)cn1.NCC1(F)CNCC12COC2
InChIInChI=1S/C28H32F2N8O4.C23H24F2N8O2.C18H21FN4O6S2.C7H13FN2O.C5H6N2O.C2H4O2.2CH4/c1-15-32-8-17(9-33-15)41-24-35-22-20(23(36-24)38-11-27(13-40-14-27)28(30,10-31)12-38)18-6-16(29)7-19(21(18)34-22)37(5)25(39)42-26(2,3)4;1-12-28-5-14(6-29-12)35-21-31-19-17(15-3-13(24)4-16(27-2)18(15)30-19)20(32-21)33-8-22(10-34-11-22)23(25,7-26)9-33;1-18(2,3)29-17(24)23(4)11-8-9(19)7-10-12-14(20-13(10)11)21-16(31(6,27)28)22-15(12)30(5,25)26;8-7(1-9)3-10-2-6(7)4-11-5-6;1-4-6-2-5(8)3-7-4;1-2(3)4;;/h6-9H,10-14,31H2,1-5H3,(H,34,35,36);3-6,27H,7-11,26H2,1-2H3,(H,30,31,32);7-8H,1-6H3,(H,20,21,22);10H,1-5,9H2;2-3,8H,1H3;1H3,(H,3,4);2*1H4
InChIKeyVQPDFEMXLLZXHE-UHFFFAOYSA-N
MW1900.07 g/mol
LogP10.26
Rot. Bonds14

About acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol

acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol (PubChem CID 158746036) has the molecular formula C85H108F6N24O16S2 and a molecular weight of 1900.07 g/mol. Its IUPAC name is acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol.

Molecular Properties

Compound Nameacetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol
PubChem CID158746036
Molecular FormulaC85H108F6N24O16S2
Molecular Weight1900.07 g/mol
Exact Mass1898.77
IUPAC Nameacetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol
SMILESC.C.CC(=O)O.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(S(C)(=O)=O)nc(S(C)(=O)=O)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(F)(CN)C4(COC4)C3)c12.Cc1ncc(O)cn1.Cc1ncc(Oc2nc(N3CC(F)(CN)C4(COC4)C3)c3c(n2)[nH]c2c(N(C)C(=O)OC(C)(C)C)cc(F)cc23)cn1.NCC1(F)CNCC12COC2
InChIInChI=1S/C28H32F2N8O4.C23H24F2N8O2.C18H21FN4O6S2.C7H13FN2O.C5H6N2O.C2H4O2.2CH4/c1-15-32-8-17(9-33-15)41-24-35-22-20(23(36-24)38-11-27(13-40-14-27)28(30,10-31)12-38)18-6-16(29)7-19(21(18)34-22)37(5)25(39)42-26(2,3)4;1-12-28-5-14(6-29-12)35-21-31-19-17(15-3-13(24)4-16(27-2)18(15)30-19)20(32-21)33-8-22(10-34-11-22)23(25,7-26)9-33;1-18(2,3)29-17(24)23(4)11-8-9(19)7-10-12-14(20-13(10)11)21-16(31(6,27)28)22-15(12)30(5,25)26;8-7(1-9)3-10-2-6(7)4-11-5-6;1-4-6-2-5(8)3-7-4;1-2(3)4;;/h6-9H,10-14,31H2,1-5H3,(H,34,35,36);3-6,27H,7-11,26H2,1-2H3,(H,30,31,32);7-8H,1-6H3,(H,20,21,22);10H,1-5,9H2;2-3,8H,1H3;1H3,(H,3,4);2*1H4
InChIKeyVQPDFEMXLLZXHE-UHFFFAOYSA-N
XLogP10.26
TPSA541.69 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.07
LogP ≤ 510.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-(5-amino-2-azaspiro[3.4]octan-2-yl)-5,6-difluoro-2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-[2-[[5,6-difluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfonyl-9H-pyrimido[4,5-b]indol-2-yl]sulfonyl]ethyl]carbamate
CID 148767286
CID 157076437
CID 157076437
acetic acid;4-[5-(aminomethyl)-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-4-(methyl-methylidene-oxo-lambda6-sulfanyl)-2-methylsulfonyl-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;methane;2-methylpyrimidin-5-ol;2-oxa-7-azaspiro[3.4]octan-5-ylmethanamine
CID 158192223
CID 158430008
CID 158430008
CID 158483088
CID 158483088
CID 158751800
CID 158751800
4-[(3R)-3-amino-6-azaspiro[3.4]octan-6-yl]-2-[2-(aminomethyl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine;1-[5-[[4-(5-amino-2-azaspiro[3.4]octan-2-yl)-5,6-difluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol;4-[(3R)-3-amino-6-azaspiro[3.4]octan-6-yl]-2-(2-ethylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine;1-[5-[[4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol;1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidine-3-sulfonamide
CID 158882814
CID 158890693
CID 158890693
2-[5-[[4-(6-aminohexylamino)-6-fluoro-8-[[hydroxy(methyl)boranyl]-methylamino]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]sulfanylacetic acid;N-[4-benzylsulfanyl-6-fluoro-2-(2-methylsulfanylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-dimethylboronamidic acid;10-fluoro-8-(methylamino)-2-oxa-25-thia-4,6,15,22,27,30,31-heptazapentacyclo[24.2.2.13,14.05,13.07,12]hentriaconta-1(29),3,5(13),7(12),8,10,14(31),26(30),27-nonaen-23-one;N-(10-fluoro-23-oxo-2-oxa-25-thia-4,6,15,22,27,30,31-heptazapentacyclo[24.2.2.13,14.05,13.07,12]hentriaconta-1(29),3,5(13),7(12),8,10,14(31),26(30),27-nonaen-8-yl)-N-dimethylboronamidic acid
CID 159004897
acetic acid;1-[5-[[4-(5-amino-2-azaspiro[3.4]octan-2-yl)-5,6-difluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol;2-azaspiro[3.4]octan-5-amine;tert-butyl N-[4-(5-amino-2-azaspiro[3.4]octan-2-yl)-5,6-difluoro-2-[2-(1-hydroxyethyl)pyrimidin-5-yl]oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[5,6-difluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;2-(1-hydroxyethyl)pyrimidin-5-ol;methane;dihydrochloride
CID 159135052
tert-butyl N-[4-[(7R)-7-amino-2-azaspiro[3.3]heptan-2-yl]-6-fluoro-2-[2-(3-hydroxycyclobutyl)oxypyrimidin-5-yl]oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[(7R)-2-azaspiro[3.3]heptan-7-yl]carbamate;tert-butyl N-[6-fluoro-2-[2-(3-hydroxycyclobutyl)oxypyrimidin-5-yl]oxy-4-[(7R)-7-methyl-2-azaspiro[3.3]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-4-(methyl-methylidene-oxo-lambda6-sulfanyl)-2-methylsulfonyl-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;2-(3-hydroxycyclobutyl)oxypyrimidin-5-ol;methane
CID 159582884
CID 159668845
CID 159668845

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol?
The IUPAC name of acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol (CID 158746036) is acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol.
What is the SMILES notation for acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol?
The canonical SMILES for acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol is C.C.CC(=O)O.CN(C(=O)OC(C)(C)C)c1cc(F)cc2c1[nH]c1nc(S(C)(=O)=O)nc(S(C)(=O)=O)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(F)(CN)C4(COC4)C3)c12.Cc1ncc(O)cn1.Cc1ncc(Oc2nc(N3CC(F)(CN)C4(COC4)C3)c3c(n2)[nH]c2c(N(C)C(=O)OC(C)(C)C)cc(F)cc23)cn1.NCC1(F)CNCC12COC2.
What is the InChIKey of acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol?
The InChIKey is VQPDFEMXLLZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N8O4.C23H24F2N8O2.C18H21FN4O6S2.C7H13FN2O.C5H6N2O.C2H4O2.2CH4/c1-15-32-8-17(9-33-15)41-24-35-22-20(23(36-24)38-11-27(13-40-14-27)28(30,10-31)12-38)18-6-16(29)7-19(21(18)34-22)37(5)25(39)42-26(2,3)4;1-12-28-5-14(6-29-12)35-21-31-19-17(15-3-13(24)4-16(27-2)18(15)30-19)20(32-21)33-8-22(10-34-11-22)23(25,7-26)9-33;1-18(2,3)29-17(24)23(4)11-8-9(19)7-10-12-14(20-13(10)11)21-16(31(6,27)28)22-15(12)30(5,25)26;8-7(1-9)3-10-2-6(7)4-11-5-6;1-4-6-2-5(8)3-7-4;1-2(3)4;;/h6-9H,10-14,31H2,1-5H3,(H,34,35,36);3-6,27H,7-11,26H2,1-2H3,(H,30,31,32);7-8H,1-6H3,(H,20,21,22);10H,1-5,9H2;2-3,8H,1H3;1H3,(H,3,4);2*1H4.
What are the key properties of acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol?
acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol has a molecular weight of 1900.07 g/mol, XLogP of 10.26, 14 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;tert-butyl N-[4-[5-(aminomethyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octan-7-yl]-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;tert-butyl N-[6-fluoro-2,4-bis(methylsulfonyl)-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate;(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanamine;methane;2-methylpyrimidin-5-ol is sourced from PubChem (CID 158746036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).