N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine

C24H27N7O — CID 123203724

IUPACN,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(C)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C4(CC4)C3)c12
InChIInChI=1S/C24H27N7O/c1-13-7-17-19-21(28-20(17)18(8-13)25-4)29-23(32-16-9-26-15(3)27-10-16)30-22(19)31-11-14(2)24(12-31)5-6-24/h7-10,14,25H,5-6,11-12H2,1-4H3,(H,28,29,30)
InChIKeyJQLVHDJUGYIHEY-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.59
Rot. Bonds4

About N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine

N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 123203724) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID123203724
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(C)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C4(CC4)C3)c12
InChIInChI=1S/C24H27N7O/c1-13-7-17-19-21(28-20(17)18(8-13)25-4)29-23(32-16-9-26-15(3)27-10-16)30-22(19)31-11-14(2)24(12-31)5-6-24/h7-10,14,25H,5-6,11-12H2,1-4H3,(H,28,29,30)
InChIKeyJQLVHDJUGYIHEY-UHFFFAOYSA-N
XLogP4.59
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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Related Compounds

4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[2-(dimethylamino)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 155371004
4-[3-amino-3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
CID 118346670
6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-piperidin-1-yl-9H-pyrimido[4,5-b]indol-8-amine
CID 123305073
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-6-(trifluoromethyl)-9H-pyrimido[4,5-b]indol-8-amine
CID 155370727
3-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 122450726
4-[(3R)-3-amino-6-azaspiro[3.4]octan-6-yl]-6-fluoro-N-methyl-2-[2-(methylamino)pyrimidin-5-yl]oxy-9H-pyrimido[4,5-b]indol-8-amine
CID 90066500
4-(7-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyrimidin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
CID 144589671
(1R)-1-[5-[[4-[(2R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol
CID 90066398
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(5-methylsulfanyl-3-pyridinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine
CID 155370776
(1R)-1-[5-[[4-[(7R)-7-amino-2-azaspiro[3.3]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyrimidin-2-yl]ethanol
CID 90066440
4-[(7R)-7-(cyclopropylmethylamino)-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-pyrimidin-5-yloxy-9H-pyrimido[4,5-b]indol-8-amine
CID 149183344
3-[6-fluoro-8-(methylamino)-2-pyrimidin-5-yloxy-9H-pyrimido[4,5-b]indol-4-yl]-3-azabicyclo[3.1.0]hexane-1,6-diamine
CID 155370996

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine (CID 123203724) is N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(C)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C4(CC4)C3)c12.
What is the InChIKey of N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is JQLVHDJUGYIHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-13-7-17-19-21(28-20(17)18(8-13)25-4)29-23(32-16-9-26-15(3)27-10-16)30-22(19)31-11-14(2)24(12-31)5-6-24/h7-10,14,25H,5-6,11-12H2,1-4H3,(H,28,29,30).
What are the key properties of N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine?
N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 429.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-(7-methyl-5-azaspiro[2.4]heptan-5-yl)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 123203724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).