N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide

C24H20F2N6O4S — CID 58440535

IUPACN-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Cc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnc[nH]1
InChIInChI=1S/C24H20F2N6O4S/c25-14-7-15(26)9-16(8-14)37(35,36)32-6-5-20-18(12-32)21(31-30-20)10-23(33)17-3-1-2-4-19(17)29-24(34)22-11-27-13-28-22/h1-4,7-9,11,13H,5-6,10,12H2,(H,27,28)(H,29,34)(H,30,31)
InChIKeyNIVYFFUJBCVOPH-UHFFFAOYSA-N
MW526.53 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide

N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide (PubChem CID 58440535) has the molecular formula C24H20F2N6O4S and a molecular weight of 526.53 g/mol. Its IUPAC name is N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide
PubChem CID58440535
Molecular FormulaC24H20F2N6O4S
Molecular Weight526.53 g/mol
Exact Mass526.12
IUPAC NameN-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Cc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnc[nH]1
InChIInChI=1S/C24H20F2N6O4S/c25-14-7-15(26)9-16(8-14)37(35,36)32-6-5-20-18(12-32)21(31-30-20)10-23(33)17-3-1-2-4-19(17)29-24(34)22-11-27-13-28-22/h1-4,7-9,11,13H,5-6,10,12H2,(H,27,28)(H,29,34)(H,30,31)
InChIKeyNIVYFFUJBCVOPH-UHFFFAOYSA-N
XLogP2.84
TPSA140.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-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 N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide (CID 58440535) is N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide is O=C(Nc1ccccc1C(=O)Cc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnc[nH]1.
What is the InChIKey of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is NIVYFFUJBCVOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O4S/c25-14-7-15(26)9-16(8-14)37(35,36)32-6-5-20-18(12-32)21(31-30-20)10-23(33)17-3-1-2-4-19(17)29-24(34)22-11-27-13-28-22/h1-4,7-9,11,13H,5-6,10,12H2,(H,27,28)(H,29,34)(H,30,31).
What are the key properties of N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide?
N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 526.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetyl]phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 58440535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).