N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C37H41N11O6S2 — CID 90013586

IUPACN-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C19H21N5O3S.C18H20N6O3S/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)28(26,27)24-11-7-20-8-12-24;19-15-5-6-24(11-15)28(26,27)16-3-1-12(2-4-16)8-21-18(25)14-7-13-10-22-23-17(13)20-9-14/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25);1-4,7,9-10,15H,5-6,8,11,19H2,(H,21,25)(H,20,22,23)
InChIKeyDKSFIIQRDHTSBE-UHFFFAOYSA-N
MW799.94 g/mol
LogP1.47
Rot. Bonds10

About N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90013586) has the molecular formula C37H41N11O6S2 and a molecular weight of 799.94 g/mol. Its IUPAC name is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90013586
Molecular FormulaC37H41N11O6S2
Molecular Weight799.94 g/mol
Exact Mass799.27
IUPAC NameN-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C19H21N5O3S.C18H20N6O3S/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)28(26,27)24-11-7-20-8-12-24;19-15-5-6-24(11-15)28(26,27)16-3-1-12(2-4-16)8-21-18(25)14-7-13-10-22-23-17(13)20-9-14/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25);1-4,7,9-10,15H,5-6,8,11,19H2,(H,21,25)(H,20,22,23)
InChIKeyDKSFIIQRDHTSBE-UHFFFAOYSA-N
XLogP1.47
TPSA229.88 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.94
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90013586) is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is DKSFIIQRDHTSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.C18H20N6O3S/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)28(26,27)24-11-7-20-8-12-24;19-15-5-6-24(11-15)28(26,27)16-3-1-12(2-4-16)8-21-18(25)14-7-13-10-22-23-17(13)20-9-14/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25);1-4,7,9-10,15H,5-6,8,11,19H2,(H,21,25)(H,20,22,23).
What are the key properties of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 799.94 g/mol, XLogP of 1.47, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90013586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).