5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide

C24H27N7O4S — CID 58052436

IUPAC5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CCCc3nn[nH]n3)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C24H27N7O4S/c1-14-6-8-16(9-7-14)21-20(23(32)25-2)18-13-17(15-10-11-15)22(26-24(18)35-21)31(36(3,33)34)12-4-5-19-27-29-30-28-19/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,25,32)(H,27,28,29,30)
InChIKeyDVTZKDBFSKWNTM-UHFFFAOYSA-N
MW509.59 g/mol
LogP2.95
Rot. Bonds9

About 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide

5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 58052436) has the molecular formula C24H27N7O4S and a molecular weight of 509.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID58052436
Molecular FormulaC24H27N7O4S
Molecular Weight509.59 g/mol
Exact Mass509.18
IUPAC Name5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CCCc3nn[nH]n3)S(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C24H27N7O4S/c1-14-6-8-16(9-7-14)21-20(23(32)25-2)18-13-17(15-10-11-15)22(26-24(18)35-21)31(36(3,33)34)12-4-5-19-27-29-30-28-19/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,25,32)(H,27,28,29,30)
InChIKeyDVTZKDBFSKWNTM-UHFFFAOYSA-N
XLogP2.95
TPSA146.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide (CID 58052436) is 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CCCc3nn[nH]n3)S(C)(=O)=O)c(C3CC3)cc12.
What is the InChIKey of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is DVTZKDBFSKWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4S/c1-14-6-8-16(9-7-14)21-20(23(32)25-2)18-13-17(15-10-11-15)22(26-24(18)35-21)31(36(3,33)34)12-4-5-19-27-29-30-28-19/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,25,32)(H,27,28,29,30).
What are the key properties of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide?
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 58052436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).