3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide

C23H29N7O2 — CID 121373387

IUPAC3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide
SMILESCC(=O)N1CCc2c(c(Nc3cc(C(=O)NC(C)C)cc(-c4cnn(C)c4)c3)nn2C)C1
InChIInChI=1S/C23H29N7O2/c1-14(2)25-23(32)17-8-16(18-11-24-28(4)12-18)9-19(10-17)26-22-20-13-30(15(3)31)7-6-21(20)29(5)27-22/h8-12,14H,6-7,13H2,1-5H3,(H,25,32)(H,26,27)
InChIKeySWFTUKKNWAHCOE-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.61
Rot. Bonds5

About 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide

3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide (PubChem CID 121373387) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide
PubChem CID121373387
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide
SMILESCC(=O)N1CCc2c(c(Nc3cc(C(=O)NC(C)C)cc(-c4cnn(C)c4)c3)nn2C)C1
InChIInChI=1S/C23H29N7O2/c1-14(2)25-23(32)17-8-16(18-11-24-28(4)12-18)9-19(10-17)26-22-20-13-30(15(3)31)7-6-21(20)29(5)27-22/h8-12,14H,6-7,13H2,1-5H3,(H,25,32)(H,26,27)
InChIKeySWFTUKKNWAHCOE-UHFFFAOYSA-N
XLogP2.61
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide with MolForge

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Related Compounds

3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9269197
Cyclopenta[a]fluorene-4,10-dione, 1-phenyl-5,5a-dihydro-1H-1,2,5,10a-tetraaza-
CID 661148
N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9120241
N-(3-(3-(4-(pyrrolidin-1-ylmethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880105
N-(3-(2-(2-(3-(2-oxopyrrolidin-1-yl)propylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883721
5-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57398540
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea
CID 67283468
1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283623
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 68295468
1-[1-(cyclopropylmethyl)-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372990
1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373027

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide (CID 121373387) is 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide is CC(=O)N1CCc2c(c(Nc3cc(C(=O)NC(C)C)cc(-c4cnn(C)c4)c3)nn2C)C1.
What is the InChIKey of 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide?
The InChIKey is SWFTUKKNWAHCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-14(2)25-23(32)17-8-16(18-11-24-28(4)12-18)9-19(10-17)26-22-20-13-30(15(3)31)7-6-21(20)29(5)27-22/h8-12,14H,6-7,13H2,1-5H3,(H,25,32)(H,26,27).
What are the key properties of 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide?
3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 121373387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).