1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C22H24N6O — CID 135907933

IUPAC1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(C)Cc3ccc(-c4ccncc4)cc3)nc12
InChIInChI=1S/C22H24N6O/c1-4-5-18-19-20(28(3)26-18)21(29)25-22(24-19)27(2)14-15-6-8-16(9-7-15)17-10-12-23-13-11-17/h6-13H,4-5,14H2,1-3H3,(H,24,25,29)
InChIKeyFZFFTKQCNUYFLO-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.31
Rot. Bonds6

About 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135907933) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135907933
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(C)Cc3ccc(-c4ccncc4)cc3)nc12
InChIInChI=1S/C22H24N6O/c1-4-5-18-19-20(28(3)26-18)21(29)25-22(24-19)27(2)14-15-6-8-16(9-7-15)17-10-12-23-13-11-17/h6-13H,4-5,14H2,1-3H3,(H,24,25,29)
InChIKeyFZFFTKQCNUYFLO-UHFFFAOYSA-N
XLogP3.31
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135907933) is 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(N(C)Cc3ccc(-c4ccncc4)cc3)nc12.
What is the InChIKey of 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FZFFTKQCNUYFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-4-5-18-19-20(28(3)26-18)21(29)25-22(24-19)27(2)14-15-6-8-16(9-7-15)17-10-12-23-13-11-17/h6-13H,4-5,14H2,1-3H3,(H,24,25,29).
What are the key properties of 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 388.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135907933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).