3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide

C21H27F2N5O2 — CID 46862575

IUPAC3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CN(C)CC2)C(C)(C)C
InChIInChI=1S/C21H27F2N5O2/c1-21(2,3)18(19(29)24-4)25-20(30)28-16-11-27(5)9-8-13(16)17(26-28)12-6-7-14(22)15(23)10-12/h6-7,10,18H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t18-/m1/s1
InChIKeyHFJMJUVKZWKSHX-GOSISDBHSA-N
MW419.48 g/mol
LogP2.53
Rot. Bonds3

About 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide

3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide (PubChem CID 46862575) has the molecular formula C21H27F2N5O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide
PubChem CID46862575
Molecular FormulaC21H27F2N5O2
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC Name3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CN(C)CC2)C(C)(C)C
InChIInChI=1S/C21H27F2N5O2/c1-21(2,3)18(19(29)24-4)25-20(30)28-16-11-27(5)9-8-13(16)17(26-28)12-6-7-14(22)15(23)10-12/h6-7,10,18H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t18-/m1/s1
InChIKeyHFJMJUVKZWKSHX-GOSISDBHSA-N
XLogP2.53
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide (CID 46862575) is 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide is CNC(=O)[C@@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CN(C)CC2)C(C)(C)C.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide?
The InChIKey is HFJMJUVKZWKSHX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27F2N5O2/c1-21(2,3)18(19(29)24-4)25-20(30)28-16-11-27(5)9-8-13(16)17(26-28)12-6-7-14(22)15(23)10-12/h6-7,10,18H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t18-/m1/s1.
What are the key properties of 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide?
3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-1-carboxamide is sourced from PubChem (CID 46862575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).