N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C42H37N9O9S4 — CID 90012063

IUPACN-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cnc(N3CCCC3)s2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H19N5O4S2.C21H18N4O5S2/c27-20(17-9-14-5-6-22-12-18(14)30-17)24-10-15-3-4-16(11-23-15)32(28,29)19-13-25-21(31-19)26-7-1-2-8-26;1-31(27,28)17-3-2-4-18(11-17)32(29,30)19-7-6-16(23-13-19)12-24-21(26)15-5-8-20-22-9-10-25(20)14-15/h3-6,9,11-13H,1-2,7-8,10H2,(H,24,27);2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyIWARGPLWXJDNFG-UHFFFAOYSA-N
MW940.08 g/mol
LogP4.94
Rot. Bonds12

About N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012063) has the molecular formula C42H37N9O9S4 and a molecular weight of 940.08 g/mol. Its IUPAC name is N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012063
Molecular FormulaC42H37N9O9S4
Molecular Weight940.08 g/mol
Exact Mass939.16
IUPAC NameN-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cnc(N3CCCC3)s2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H19N5O4S2.C21H18N4O5S2/c27-20(17-9-14-5-6-22-12-18(14)30-17)24-10-15-3-4-16(11-23-15)32(28,29)19-13-25-21(31-19)26-7-1-2-8-26;1-31(27,28)17-3-2-4-18(11-17)32(29,30)19-7-6-16(23-13-19)12-24-21(26)15-5-8-20-22-9-10-25(20)14-15/h3-6,9,11-13H,1-2,7-8,10H2,(H,24,27);2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyIWARGPLWXJDNFG-UHFFFAOYSA-N
XLogP4.94
TPSA245.86 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.08
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012063) is N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cnc(N3CCCC3)s2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IWARGPLWXJDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2.C21H18N4O5S2/c27-20(17-9-14-5-6-22-12-18(14)30-17)24-10-15-3-4-16(11-23-15)32(28,29)19-13-25-21(31-19)26-7-1-2-8-26;1-31(27,28)17-3-2-4-18(11-17)32(29,30)19-7-6-16(23-13-19)12-24-21(26)15-5-8-20-22-9-10-25(20)14-15/h3-6,9,11-13H,1-2,7-8,10H2,(H,24,27);2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 940.08 g/mol, XLogP of 4.94, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).