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

C20H19N5O4 — CID 135902007

IUPAC(4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1OC
InChIInChI=1S/C20H19N5O4/c1-11-17-13(18(27)12-5-6-14(28-2)15(9-12)29-3)10-16(26)23-19(17)25(24-11)20-21-7-4-8-22-20/h4-9,13H,10H2,1-3H3,(H,23,26)/t13-/m0/s1
InChIKeyCZANTYUKVSGQKH-ZDUSSCGKSA-N
MW393.40 g/mol
LogP2.30
Rot. Bonds5

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

(4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135902007) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135902007
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name(4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1OC
InChIInChI=1S/C20H19N5O4/c1-11-17-13(18(27)12-5-6-14(28-2)15(9-12)29-3)10-16(26)23-19(17)25(24-11)20-21-7-4-8-22-20/h4-9,13H,10H2,1-3H3,(H,23,26)/t13-/m0/s1
InChIKeyCZANTYUKVSGQKH-ZDUSSCGKSA-N
XLogP2.30
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655513
4-benzoyl-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654551
1-(3,4-dimethylphenyl)-4-(4-ethoxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986307
(4R)-1-(3,4-dimethylphenyl)-4-(4-hydroxy-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697451
4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654356
1-(3,5-dimethylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986483
(4S)-1-(2,4-difluorophenyl)-4-(3-methoxy-4-propoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697460
4-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654989
(4S)-1-(3,4-dimethylphenyl)-4-(3-methoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884466
2-[2-methoxy-4-(3-methyl-7-oxo-1-pyrimidin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-4-yl)phenoxy]acetamide
CID 135654688
4-(2,6-dimethoxybenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986294
(4R)-4-(2,6-dimethoxybenzoyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884744

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135902007) is (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1OC.
What is the InChIKey of (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CZANTYUKVSGQKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-11-17-13(18(27)12-5-6-14(28-2)15(9-12)29-3)10-16(26)23-19(17)25(24-11)20-21-7-4-8-22-20/h4-9,13H,10H2,1-3H3,(H,23,26)/t13-/m0/s1.
What are the key properties of (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 393.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dimethoxybenzoyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135902007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).