2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

C21H22N6O2 — CID 59259001

IUPAC2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C21H22N6O2/c1-11-16-9-17(13-8-12-6-7-23-18(12)24-10-13)20(29)27(19(16)26-21(22)25-11)14-2-4-15(28)5-3-14/h6-10,14-15,28H,2-5H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyFTIGHKKHDLYCOC-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259001) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59259001
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C21H22N6O2/c1-11-16-9-17(13-8-12-6-7-23-18(12)24-10-13)20(29)27(19(16)26-21(22)25-11)14-2-4-15(28)5-3-14/h6-10,14-15,28H,2-5H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyFTIGHKKHDLYCOC-UHFFFAOYSA-N
XLogP2.70
TPSA122.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Slv320
CID 9953065
3-[[(cyanoamino)-[(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methylidene]amino]-N-(2-hydroxyethyl)benzamide
CID 44543082
2-(4-hydroxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
CID 135962820
US11001586, Example 55
CID 146402892
(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 146403042
trans-2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-methylpyridin-3-yl)pteridin-7(8H)-one
CID 49800133
N-ethyl-4-(3-phenylmorpholin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137650313
2-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide
CID 162658165
(S)-N-(3-(isopropylcarbamoyl)phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187799
(S)-N-(3-(2-hydroxyethylcarbamoyl)phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187801
(2S)-N-[3-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl]-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 44543083
N-propan-2-yl-3-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]carbamoylamino]benzamide
CID 57404047

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59259001) is 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FTIGHKKHDLYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-11-16-9-17(13-8-12-6-7-23-18(12)24-10-13)20(29)27(19(16)26-21(22)25-11)14-2-4-15(28)5-3-14/h6-10,14-15,28H,2-5H2,1H3,(H,23,24)(H2,22,25,26).
What are the key properties of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 390.45 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).