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

C19H22N6O — CID 135907879

IUPAC1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(C)c3ccc4ccn(C)c4c3)nc12
InChIInChI=1S/C19H22N6O/c1-5-6-14-16-17(25(4)22-14)18(26)21-19(20-16)24(3)13-8-7-12-9-10-23(2)15(12)11-13/h7-11H,5-6H2,1-4H3,(H,20,21,26)
InChIKeyAGKPRBSRMHFOTJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.87
Rot. Bonds4

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

1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135907879) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135907879
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(N(C)c3ccc4ccn(C)c4c3)nc12
InChIInChI=1S/C19H22N6O/c1-5-6-14-16-17(25(4)22-14)18(26)21-19(20-16)24(3)13-8-7-12-9-10-23(2)15(12)11-13/h7-11H,5-6H2,1-4H3,(H,20,21,26)
InChIKeyAGKPRBSRMHFOTJ-UHFFFAOYSA-N
XLogP2.87
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dichloro-N-methylanilino)-3-(2-hydroxyethyl)-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154941964
1-methyl-5-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907933
1-methyl-5-(1-methylpyrrol-2-yl)-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135422892
1,5-dimethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832631
5-[(3-aminophenyl)methyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135815267
5-(3-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136618124
1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137007127
1-methyl-5-[(3-nitrophenyl)methyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135815251
5-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969652
[(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-phenylmethyl] acetate
CID 135815270
5-(3-bromo-4-fluorophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137159755
5-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135879621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135907879) is 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(N(C)c3ccc4ccn(C)c4c3)nc12.
What is the InChIKey of 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is AGKPRBSRMHFOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-5-6-14-16-17(25(4)22-14)18(26)21-19(20-16)24(3)13-8-7-12-9-10-23(2)15(12)11-13/h7-11H,5-6H2,1-4H3,(H,20,21,26).
What are the key properties of 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 350.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[methyl-(1-methylindol-6-yl)amino]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135907879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).