N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide

C37H40N10O7S2 — CID 66613540

IUPACN-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C19H20N4O4S.C18H20N6O3S/c24-19(17-11-15-5-6-21-13-18(15)27-17)22-12-14-1-3-16(4-2-14)28(25,26)23-9-7-20-8-10-23;19-15-5-7-24(12-15)28(26,27)16-3-1-13(2-4-16)9-21-17(25)14-10-22-18-20-6-8-23(18)11-14/h1-6,11,13,20H,7-10,12H2,(H,22,24);1-4,6,8,10-11,15H,5,7,9,12,19H2,(H,21,25)
InChIKeyXXIDKYUPGLQNPW-UHFFFAOYSA-N
MW800.92 g/mol
LogP1.73
Rot. Bonds10

About N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 66613540) has the molecular formula C37H40N10O7S2 and a molecular weight of 800.92 g/mol. Its IUPAC name is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID66613540
Molecular FormulaC37H40N10O7S2
Molecular Weight800.92 g/mol
Exact Mass800.25
IUPAC NameN-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2ccncc2o1
InChIInChI=1S/C19H20N4O4S.C18H20N6O3S/c24-19(17-11-15-5-6-21-13-18(15)27-17)22-12-14-1-3-16(4-2-14)28(25,26)23-9-7-20-8-10-23;19-15-5-7-24(12-15)28(26,27)16-3-1-13(2-4-16)9-21-17(25)14-10-22-18-20-6-8-23(18)11-14/h1-6,11,13,20H,7-10,12H2,(H,22,24);1-4,6,8,10-11,15H,5,7,9,12,19H2,(H,21,25)
InChIKeyXXIDKYUPGLQNPW-UHFFFAOYSA-N
XLogP1.73
TPSA227.23 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.92
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-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-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide (CID 66613540) is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide is NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XXIDKYUPGLQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S.C18H20N6O3S/c24-19(17-11-15-5-6-21-13-18(15)27-17)22-12-14-1-3-16(4-2-14)28(25,26)23-9-7-20-8-10-23;19-15-5-7-24(12-15)28(26,27)16-3-1-13(2-4-16)9-21-17(25)14-10-22-18-20-6-8-23(18)11-14/h1-6,11,13,20H,7-10,12H2,(H,22,24);1-4,6,8,10-11,15H,5,7,9,12,19H2,(H,21,25).
What are the key properties of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 800.92 g/mol, XLogP of 1.73, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66613540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).