1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide

C20H19F2N5O3 — CID 134607424

IUPAC1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc3c(cn2)cnn3CC(C)(F)F)COc2ccccc21
InChIInChI=1S/C20H19F2N5O3/c1-20(21,22)11-27-16-7-13(23-8-12(16)9-24-27)18(28)25-14-10-30-17-6-4-3-5-15(17)26(2)19(14)29/h3-9,14H,10-11H2,1-2H3,(H,25,28)/t14-/m0/s1
InChIKeyJLLBMQGNUJAEOS-AWEZNQCLSA-N
MW415.40 g/mol
LogP2.24
Rot. Bonds4

About 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide

1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 134607424) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
PubChem CID134607424
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2cc3c(cn2)cnn3CC(C)(F)F)COc2ccccc21
InChIInChI=1S/C20H19F2N5O3/c1-20(21,22)11-27-16-7-13(23-8-12(16)9-24-27)18(28)25-14-10-30-17-6-4-3-5-15(17)26(2)19(14)29/h3-9,14H,10-11H2,1-2H3,(H,25,28)/t14-/m0/s1
InChIKeyJLLBMQGNUJAEOS-AWEZNQCLSA-N
XLogP2.24
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 135308996
CID 135308996
US9951086, Example 68
CID 118173098
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364
5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 137635629
N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137649435
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
The IUPAC name of 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide (CID 134607424) is 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
The canonical SMILES for 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide is CN1C(=O)[C@@H](NC(=O)c2cc3c(cn2)cnn3CC(C)(F)F)COc2ccccc21.
What is the InChIKey of 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
The InChIKey is JLLBMQGNUJAEOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c1-20(21,22)11-27-16-7-13(23-8-12(16)9-24-27)18(28)25-14-10-30-17-6-4-3-5-15(17)26(2)19(14)29/h3-9,14H,10-11H2,1-2H3,(H,25,28)/t14-/m0/s1.
What are the key properties of 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide?
1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 134607424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).