1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C49H40Cl2F6IN11O4 — CID 161149132

IUPAC1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(I)cc(C(=O)NC2(C3CC3)CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)c(C(=O)NC2(C3CC3)CC2)c1
InChIInChI=1S/C25H20ClF3N6O2.C24H20ClF3IN5O2/c1-13-10-15(30-2)11-16(22(36)33-24(7-8-24)14-5-6-14)20(13)32-23(37)18-12-19(25(27,28)29)34-35(18)21-17(26)4-3-9-31-21;1-12-9-14(29)10-15(21(35)32-23(6-7-23)13-4-5-13)19(12)31-22(36)17-11-18(24(26,27)28)33-34(17)20-16(25)3-2-8-30-20/h3-4,9-12,14H,5-8H2,1H3,(H,32,37)(H,33,36);2-3,8-11,13H,4-7H2,1H3,(H,31,36)(H,32,35)
InChIKeyUOLAOBRSCQIXDL-UHFFFAOYSA-N
MW1158.73 g/mol
LogP11.50
Rot. Bonds12

About 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 161149132) has the molecular formula C49H40Cl2F6IN11O4 and a molecular weight of 1158.73 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID161149132
Molecular FormulaC49H40Cl2F6IN11O4
Molecular Weight1158.73 g/mol
Exact Mass1157.16
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(I)cc(C(=O)NC2(C3CC3)CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)c(C(=O)NC2(C3CC3)CC2)c1
InChIInChI=1S/C25H20ClF3N6O2.C24H20ClF3IN5O2/c1-13-10-15(30-2)11-16(22(36)33-24(7-8-24)14-5-6-14)20(13)32-23(37)18-12-19(25(27,28)29)34-35(18)21-17(26)4-3-9-31-21;1-12-9-14(29)10-15(21(35)32-23(6-7-23)13-4-5-13)19(12)31-22(36)17-11-18(24(26,27)28)33-34(17)20-16(25)3-2-8-30-20/h3-4,9-12,14H,5-8H2,1H3,(H,32,37)(H,33,36);2-3,8-11,13H,4-7H2,1H3,(H,31,36)(H,32,35)
InChIKeyUOLAOBRSCQIXDL-UHFFFAOYSA-N
XLogP11.50
TPSA182.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.73
LogP ≤ 511.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[4-iodo-2-methyl-6-[(methylamino)carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 44443742
1-(3-chloro-2-pyridinyl)-N-[[2-(cyclopropylcarbamoyl)-6-methylphenyl]carbamoyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 66560064
N-(4-amino-2-methyl-6-(((1-methylethyl)amino)carbonyl)phenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10227689
N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 11272470
N-[6-[[(cyclopropylmethyl)amino]carbonyl]-2-methylphenyl]-1-(3-chloro-2-pyridyl)-3-(trifluoromethyl)-1H-pyrazol-5-carboxamide
CID 11648616
N-[4-Benzoylamino-2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 18446926
2-(3-chloropyridin-2-yl)-N-[4-iodo-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 18446930
N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24808532
N-[4-chloro-2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-(difluoromethyl)pyrazole-3-carboxamide
CID 25093960
2-(3-chloropyridin-2-yl)-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 25093992
2-(3-chloropyridin-2-yl)-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-5-(difluoromethyl)pyrazole-3-carboxamide
CID 25093993
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46220549

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 161149132) is 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(I)cc(C(=O)NC2(C3CC3)CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.[C-]#[N+]c1cc(C)c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)c(C(=O)NC2(C3CC3)CC2)c1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UOLAOBRSCQIXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N6O2.C24H20ClF3IN5O2/c1-13-10-15(30-2)11-16(22(36)33-24(7-8-24)14-5-6-14)20(13)32-23(37)18-12-19(25(27,28)29)34-35(18)21-17(26)4-3-9-31-21;1-12-9-14(29)10-15(21(35)32-23(6-7-23)13-4-5-13)19(12)31-22(36)17-11-18(24(26,27)28)33-34(17)20-16(25)3-2-8-30-20/h3-4,9-12,14H,5-8H2,1H3,(H,32,37)(H,33,36);2-3,8-11,13H,4-7H2,1H3,(H,31,36)(H,32,35).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 1158.73 g/mol, XLogP of 11.50, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-iodo-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[2-[(1-cyclopropylcyclopropyl)carbamoyl]-4-isocyano-6-methylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 161149132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).