5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C19H29N5O — CID 91117971

IUPAC5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCN(CC1CCCCC1)c1nc2c(C3CCCC3)[nH]nc2c(=O)n1C
InChIInChI=1S/C19H29N5O/c1-23(12-13-8-4-3-5-9-13)19-20-16-15(14-10-6-7-11-14)21-22-17(16)18(25)24(19)2/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyZPVQEOAVBUYANS-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.33
Rot. Bonds4

About 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 91117971) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID91117971
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCN(CC1CCCCC1)c1nc2c(C3CCCC3)[nH]nc2c(=O)n1C
InChIInChI=1S/C19H29N5O/c1-23(12-13-8-4-3-5-9-13)19-20-16-15(14-10-6-7-11-14)21-22-17(16)18(25)24(19)2/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyZPVQEOAVBUYANS-UHFFFAOYSA-N
XLogP3.33
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 91117971) is 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is CN(CC1CCCCC1)c1nc2c(C3CCCC3)[nH]nc2c(=O)n1C.
What is the InChIKey of 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is ZPVQEOAVBUYANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-23(12-13-8-4-3-5-9-13)19-20-16-15(14-10-6-7-11-14)21-22-17(16)18(25)24(19)2/h13-14H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 343.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexylmethyl(methyl)amino]-3-cyclopentyl-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 91117971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).