(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H26N6O — CID 136907616

IUPAC(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C2CCCC2)c2c1[C@@H](c1cnc(NC(C)C)nc1)CC(=O)N2
InChIInChI=1S/C19H26N6O/c1-11(2)22-19-20-9-13(10-21-19)15-8-16(26)23-18-17(15)12(3)24-25(18)14-6-4-5-7-14/h9-11,14-15H,4-8H2,1-3H3,(H,23,26)(H,20,21,22)/t15-/m1/s1
InChIKeyPEIZCEQEUZSRTD-OAHLLOKOSA-N
MW354.46 g/mol
LogP3.39
Rot. Bonds4

About (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136907616) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136907616
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C2CCCC2)c2c1[C@@H](c1cnc(NC(C)C)nc1)CC(=O)N2
InChIInChI=1S/C19H26N6O/c1-11(2)22-19-20-9-13(10-21-19)15-8-16(26)23-18-17(15)12(3)24-25(18)14-6-4-5-7-14/h9-11,14-15H,4-8H2,1-3H3,(H,23,26)(H,20,21,22)/t15-/m1/s1
InChIKeyPEIZCEQEUZSRTD-OAHLLOKOSA-N
XLogP3.39
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136907616) is (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C2CCCC2)c2c1[C@@H](c1cnc(NC(C)C)nc1)CC(=O)N2.
What is the InChIKey of (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PEIZCEQEUZSRTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N6O/c1-11(2)22-19-20-9-13(10-21-19)15-8-16(26)23-18-17(15)12(3)24-25(18)14-6-4-5-7-14/h9-11,14-15H,4-8H2,1-3H3,(H,23,26)(H,20,21,22)/t15-/m1/s1.
What are the key properties of (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 354.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136907616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).