2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

C23H28N6O2 — CID 25032719

IUPAC2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N3CCCC3)nc1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C23H28N6O2/c1-14-18-12-19(15-4-9-20(25-13-15)28-10-2-3-11-28)22(31)29(21(18)27-23(24)26-14)16-5-7-17(30)8-6-16/h4,9,12-13,16-17,30H,2-3,5-8,10-11H2,1H3,(H2,24,26,27)
InChIKeyAHQRMXFHEMSOSW-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 25032719) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID25032719
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N3CCCC3)nc1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C23H28N6O2/c1-14-18-12-19(15-4-9-20(25-13-15)28-10-2-3-11-28)22(31)29(21(18)27-23(24)26-14)16-5-7-17(30)8-6-16/h4,9,12-13,16-17,30H,2-3,5-8,10-11H2,1H3,(H2,24,26,27)
InChIKeyAHQRMXFHEMSOSW-UHFFFAOYSA-N
XLogP2.82
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one (CID 25032719) is 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1ccc(N3CCCC3)nc1)c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AHQRMXFHEMSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14-18-12-19(15-4-9-20(25-13-15)28-10-2-3-11-28)22(31)29(21(18)27-23(24)26-14)16-5-7-17(30)8-6-16/h4,9,12-13,16-17,30H,2-3,5-8,10-11H2,1H3,(H2,24,26,27).
What are the key properties of 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 420.52 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25032719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).