1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H27N7O — CID 135860095

IUPAC1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
InChIKeyJSAHYUSOARFYAP-DNVCBOLYSA-N
MW417.52 g/mol
LogP3.12
Rot. Bonds4

About 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135860095) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135860095
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
InChIKeyJSAHYUSOARFYAP-DNVCBOLYSA-N
XLogP3.12
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135860095) is 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JSAHYUSOARFYAP-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 417.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(3S,4S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135860095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).