(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H29N5O — CID 136713620

IUPAC(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C2CCCCC2)c2c1[C@@H](c1cc(C(C)(C)C)n[nH]1)CC(=O)N2
InChIInChI=1S/C20H29N5O/c1-12-18-14(15-11-16(23-22-15)20(2,3)4)10-17(26)21-19(18)25(24-12)13-8-6-5-7-9-13/h11,13-14H,5-10H2,1-4H3,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyCUZRWSZFSKRWCK-CQSZACIVSA-N
MW355.49 g/mol
LogP4.19
Rot. Bonds2

About (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136713620) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136713620
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C2CCCCC2)c2c1[C@@H](c1cc(C(C)(C)C)n[nH]1)CC(=O)N2
InChIInChI=1S/C20H29N5O/c1-12-18-14(15-11-16(23-22-15)20(2,3)4)10-17(26)21-19(18)25(24-12)13-8-6-5-7-9-13/h11,13-14H,5-10H2,1-4H3,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyCUZRWSZFSKRWCK-CQSZACIVSA-N
XLogP4.19
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-(2-fluoro-5-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420520
methyl 4-(1-cyclohexyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzoate
CID 169419411
(4R)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136821293
(4R)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887344
1-cyclopentyl-3-methyl-4-[2-(pyrazol-1-ylmethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503607
4-[(4R)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 136887411
(4S)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887227
4-(3-chloro-4-hydroxyphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632932
(4R)-4-(3-chloro-4-fluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887381
(4S)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887238
1-(1,1-dioxothiolan-3-yl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632756
4-[1-(1,1-dioxothiolan-3-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonitrile
CID 135632414

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136713620) is (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C2CCCCC2)c2c1[C@@H](c1cc(C(C)(C)C)n[nH]1)CC(=O)N2.
What is the InChIKey of (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CUZRWSZFSKRWCK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N5O/c1-12-18-14(15-11-16(23-22-15)20(2,3)4)10-17(26)21-19(18)25(24-12)13-8-6-5-7-9-13/h11,13-14H,5-10H2,1-4H3,(H,21,26)(H,22,23)/t14-/m1/s1.
What are the key properties of (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 355.49 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-cyclohexyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136713620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).