7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C22H26N4O2 — CID 66959590

IUPAC7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H26N4O2/c1-14(2)24-20-19-18(23-13-26(3)21(19)27)12-17(25-20)15-6-8-16(9-7-15)22(28)10-4-5-11-22/h6-9,12-14,28H,4-5,10-11H2,1-3H3,(H,24,25)
InChIKeyHWCMPHWQKIMULQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.58
Rot. Bonds4

About 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959590) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959590
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H26N4O2/c1-14(2)24-20-19-18(23-13-26(3)21(19)27)12-17(25-20)15-6-8-16(9-7-15)22(28)10-4-5-11-22/h6-9,12-14,28H,4-5,10-11H2,1-3H3,(H,24,25)
InChIKeyHWCMPHWQKIMULQ-UHFFFAOYSA-N
XLogP3.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959590) is 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(C3(O)CCCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HWCMPHWQKIMULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)24-20-19-18(23-13-26(3)21(19)27)12-17(25-20)15-6-8-16(9-7-15)22(28)10-4-5-11-22/h6-9,12-14,28H,4-5,10-11H2,1-3H3,(H,24,25).
What are the key properties of 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-hydroxycyclopentyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).