N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide

C28H30F2N8O4S — CID 67201800

IUPACN-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3)c(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C28H30F2N8O4S/c1-37(2)10-8-32-20-3-4-22(25(14-20)33-27(39)17-5-7-31-15-17)28(40)34-26-23-16-38(9-6-24(23)35-36-26)43(41,42)21-12-18(29)11-19(30)13-21/h3-5,7,11-15,31-32H,6,8-10,16H2,1-2H3,(H,33,39)(H2,34,35,36,40)
InChIKeyXVDXMQVNEYQZBK-UHFFFAOYSA-N
MW612.66 g/mol
LogP3.24
Rot. Bonds10

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

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 67201800) has the molecular formula C28H30F2N8O4S and a molecular weight of 612.66 g/mol. Its IUPAC name is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide
PubChem CID67201800
Molecular FormulaC28H30F2N8O4S
Molecular Weight612.66 g/mol
Exact Mass612.21
IUPAC NameN-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3)c(NC(=O)c2cc[nH]c2)c1
InChIInChI=1S/C28H30F2N8O4S/c1-37(2)10-8-32-20-3-4-22(25(14-20)33-27(39)17-5-7-31-15-17)28(40)34-26-23-16-38(9-6-24(23)35-36-26)43(41,42)21-12-18(29)11-19(30)13-21/h3-5,7,11-15,31-32H,6,8-10,16H2,1-2H3,(H,33,39)(H2,34,35,36,40)
InChIKeyXVDXMQVNEYQZBK-UHFFFAOYSA-N
XLogP3.24
TPSA155.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.66
LogP ≤ 53.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-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

N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-[1-(dimethylamino)propan-2-ylamino]-2-(oxan-4-ylamino)benzamide
CID 16665862
2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(dimethylamino)benzamide
CID 67493798
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-[[3-(4-methylpiperazin-1-yl)-2-oxopropyl]amino]benzamide
CID 67201605
4-[2-(dimethylamino)ethylamino]-N-[5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 24751473
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(dimethylamino)-2-[(1-methylpiperidin-4-yl)amino]benzamide
CID 67202269
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 67201685
2-(aminomethyl)-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 67203186
2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-methoxybenzamide
CID 67493797
2-(cyclopropanecarbonylamino)-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67203428
2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 67493689
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]-2-(oxan-4-ylamino)benzamide
CID 16666027
N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 16665788

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide (CID 67201800) is N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide is CN(C)CCNc1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cc(F)cc(F)c2)CC3)c(NC(=O)c2cc[nH]c2)c1.
What is the InChIKey of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is XVDXMQVNEYQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N8O4S/c1-37(2)10-8-32-20-3-4-22(25(14-20)33-27(39)17-5-7-31-15-17)28(40)34-26-23-16-38(9-6-24(23)35-36-26)43(41,42)21-12-18(29)11-19(30)13-21/h3-5,7,11-15,31-32H,6,8-10,16H2,1-2H3,(H,33,39)(H2,34,35,36,40).
What are the key properties of N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide?
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 612.66 g/mol, XLogP of 3.24, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-[2-(dimethylamino)ethylamino]phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 67201800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).