(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H19N3O2 — CID 136887725

IUPAC(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c1
InChIInChI=1S/C16H19N3O2/c1-10(2)19-16-14(9-17-19)13(8-15(20)18-16)11-5-4-6-12(7-11)21-3/h4-7,9-10,13H,8H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyULQALIWOEBCLAI-ZDUSSCGKSA-N
MW285.35 g/mol
LogP2.95
Rot. Bonds3

About (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136887725) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136887725
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c1
InChIInChI=1S/C16H19N3O2/c1-10(2)19-16-14(9-17-19)13(8-15(20)18-16)11-5-4-6-12(7-11)21-3/h4-7,9-10,13H,8H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyULQALIWOEBCLAI-ZDUSSCGKSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
(4R)-1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887397
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
(4R)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899638
4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634528
(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136766745
(4S)-1-propan-2-yl-4-(4-prop-2-ynoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826075
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
(4R)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800439
1-ethyl-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420538
(4R)-1-propan-2-yl-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826011

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136887725) is (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c1.
What is the InChIKey of (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ULQALIWOEBCLAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)19-16-14(9-17-19)13(8-15(20)18-16)11-5-4-6-12(7-11)21-3/h4-7,9-10,13H,8H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136887725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).