[5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide

C102H104N26O10 — CID 159377401

IUPAC[5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)[nH]c4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1.COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)CC5(C)COC5)cc4c3)n2)c1.O=C(c1cc2cc(Nc3nccc(-c4cc(OC5CCCCC5)ccn4)n3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C28H30N6O3.C26H24N8O2.C25H26N6O3.C23H24N6O2/c35-27(34-12-14-36-15-13-34)26-17-19-16-20(6-7-23(19)32-26)31-28-30-11-9-24(33-28)25-18-22(8-10-29-25)37-21-4-2-1-3-5-21;1-36-16-17-4-6-27-22(12-17)21-5-7-29-26(32-21)30-19-2-3-20-18(13-19)14-23(31-20)25(35)34-11-10-33-9-8-28-24(33)15-34;1-25(14-34-15-25)13-31(2)23(32)22-11-16-10-17(4-5-19(16)29-22)28-24-27-9-7-20(30-24)21-12-18(33-3)6-8-26-21;1-4-11-31-17-7-9-24-20(14-17)18-8-10-25-23(28-18)26-16-6-5-15-12-21(22(30)29(2)3)27-19(15)13-16/h6-11,16-18,21,32H,1-5,12-15H2,(H,30,31,33);2-9,12-14,31H,10-11,15-16H2,1H3,(H,29,30,32);4-12,29H,13-15H2,1-3H3,(H,27,28,30);5-10,12-14,27H,4,11H2,1-3H3,(H,25,26,28)
InChIKeyLKMKPZFRFMGZIZ-UHFFFAOYSA-N
MW1854.13 g/mol
LogP16.84
Rot. Bonds26

About [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide

[5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 159377401) has the molecular formula C102H104N26O10 and a molecular weight of 1854.13 g/mol. Its IUPAC name is [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name[5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID159377401
Molecular FormulaC102H104N26O10
Molecular Weight1854.13 g/mol
Exact Mass1852.84
IUPAC Name[5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)[nH]c4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1.COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)CC5(C)COC5)cc4c3)n2)c1.O=C(c1cc2cc(Nc3nccc(-c4cc(OC5CCCCC5)ccn4)n3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C28H30N6O3.C26H24N8O2.C25H26N6O3.C23H24N6O2/c35-27(34-12-14-36-15-13-34)26-17-19-16-20(6-7-23(19)32-26)31-28-30-11-9-24(33-28)25-18-22(8-10-29-25)37-21-4-2-1-3-5-21;1-36-16-17-4-6-27-22(12-17)21-5-7-29-26(32-21)30-19-2-3-20-18(13-19)14-23(31-20)25(35)34-11-10-33-9-8-28-24(33)15-34;1-25(14-34-15-25)13-31(2)23(32)22-11-16-10-17(4-5-19(16)29-22)28-24-27-9-7-20(30-24)21-12-18(33-3)6-8-26-21;1-4-11-31-17-7-9-24-20(14-17)18-8-10-25-23(28-18)26-16-6-5-15-12-21(22(30)29(2)3)27-19(15)13-16/h6-11,16-18,21,32H,1-5,12-15H2,(H,30,31,33);2-9,12-14,31H,10-11,15-16H2,1H3,(H,29,30,32);4-12,29H,13-15H2,1-3H3,(H,27,28,30);5-10,12-14,27H,4,11H2,1-3H3,(H,25,26,28)
InChIKeyLKMKPZFRFMGZIZ-UHFFFAOYSA-N
XLogP16.84
TPSA420.40 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.13
LogP ≤ 516.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide (CID 159377401) is [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide is CCCOc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)[nH]c4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1.COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)CC5(C)COC5)cc4c3)n2)c1.O=C(c1cc2cc(Nc3nccc(-c4cc(OC5CCCCC5)ccn4)n3)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LKMKPZFRFMGZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C26H24N8O2.C25H26N6O3.C23H24N6O2/c35-27(34-12-14-36-15-13-34)26-17-19-16-20(6-7-23(19)32-26)31-28-30-11-9-24(33-28)25-18-22(8-10-29-25)37-21-4-2-1-3-5-21;1-36-16-17-4-6-27-22(12-17)21-5-7-29-26(32-21)30-19-2-3-20-18(13-19)14-23(31-20)25(35)34-11-10-33-9-8-28-24(33)15-34;1-25(14-34-15-25)13-31(2)23(32)22-11-16-10-17(4-5-19(16)29-22)28-24-27-9-7-20(30-24)21-12-18(33-3)6-8-26-21;1-4-11-31-17-7-9-24-20(14-17)18-8-10-25-23(28-18)26-16-6-5-15-12-21(22(30)29(2)3)27-19(15)13-16/h6-11,16-18,21,32H,1-5,12-15H2,(H,30,31,33);2-9,12-14,31H,10-11,15-16H2,1H3,(H,29,30,32);4-12,29H,13-15H2,1-3H3,(H,27,28,30);5-10,12-14,27H,4,11H2,1-3H3,(H,25,26,28).
What are the key properties of [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide?
[5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 1854.13 g/mol, XLogP of 16.84, 26 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(4-cyclohexyloxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N,N-dimethyl-6-[[4-(4-propoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;5-[[4-(4-methoxy-2-pyridinyl)pyrimidin-2-yl]amino]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159377401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).