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

C21H17N5O — CID 135901629

IUPAC(4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ncccn2)c2c1[C@@H](c1cccc3ccccc13)CC(=O)N2
InChIInChI=1S/C21H17N5O/c1-13-19-17(16-9-4-7-14-6-2-3-8-15(14)16)12-18(27)24-20(19)26(25-13)21-22-10-5-11-23-21/h2-11,17H,12H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyMKCXXDVYRVNVAM-QGZVFWFLSA-N
MW355.40 g/mol
LogP3.60
Rot. Bonds2

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

(4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135901629) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135901629
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name(4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ncccn2)c2c1[C@@H](c1cccc3ccccc13)CC(=O)N2
InChIInChI=1S/C21H17N5O/c1-13-19-17(16-9-4-7-14-6-2-3-8-15(14)16)12-18(27)24-20(19)26(25-13)21-22-10-5-11-23-21/h2-11,17H,12H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyMKCXXDVYRVNVAM-QGZVFWFLSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136828556
4-(2-bromophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584742
(4S)-4-(2,3-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871153
3-methyl-1-pyrimidin-2-yl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654302
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584716
4-[(4R)-3-methyl-6-oxo-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135902370
3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655860
4-benzoyl-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654551
4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620906
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135901629) is (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc3ccccc13)CC(=O)N2.
What is the InChIKey of (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MKCXXDVYRVNVAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H17N5O/c1-13-19-17(16-9-4-7-14-6-2-3-8-15(14)16)12-18(27)24-20(19)26(25-13)21-22-10-5-11-23-21/h2-11,17H,12H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 355.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-naphthalen-1-yl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135901629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).