6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide

C23H24ClN7O5S — CID 67464662

IUPAC6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cc(OC)nn2-c2ncccc2Cl)c(C)cc2cn(S(C)(=O)=O)nc12
InChIInChI=1S/C23H24ClN7O5S/c1-5-8-26-23(33)18-19(13(2)10-14-12-30(29-20(14)18)37(4,34)35)27-22(32)16-11-17(36-3)28-31(16)21-15(24)7-6-9-25-21/h6-7,9-12H,5,8H2,1-4H3,(H,26,33)(H,27,32)
InChIKeyMULMVGHKRSEHFE-UHFFFAOYSA-N
MW546.01 g/mol
LogP2.79
Rot. Bonds8

About 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide

6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide (PubChem CID 67464662) has the molecular formula C23H24ClN7O5S and a molecular weight of 546.01 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide
PubChem CID67464662
Molecular FormulaC23H24ClN7O5S
Molecular Weight546.01 g/mol
Exact Mass545.12
IUPAC Name6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cc(OC)nn2-c2ncccc2Cl)c(C)cc2cn(S(C)(=O)=O)nc12
InChIInChI=1S/C23H24ClN7O5S/c1-5-8-26-23(33)18-19(13(2)10-14-12-30(29-20(14)18)37(4,34)35)27-22(32)16-11-17(36-3)28-31(16)21-15(24)7-6-9-25-21/h6-7,9-12H,5,8H2,1-4H3,(H,26,33)(H,27,32)
InChIKeyMULMVGHKRSEHFE-UHFFFAOYSA-N
XLogP2.79
TPSA150.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.01
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-decoxyethyl 7-(tert-butylcarbamoyl)-6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methylindazole-2-carboxylate
CID 58500444
6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide
CID 71029388
N-[4-chloro-2-methyl-6-(propylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(3-sulfanylidenecyclobutyl)oxypyrazole-5-carboxamide
CID 175077762
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670353
3-bromo-N-[[4-chloro-2-methyl-6-(propylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141464590
6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide
CID 155227083
N-[2-(butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-thiophen-3-yloxypyrazole-5-carboxamide
CID 175082921
methyl 5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-3-methylbenzoate
CID 71467413
N-[2-bromo-4-chloro-6-(propylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(3-sulfanylidenecyclobutyl)oxypyrazole-5-carboxamide
CID 175083021
3-bromo-N-[2-(N-bromo-S-methylsulfonimidoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 151227796
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(diethylcarbamoyl)-4-iodo-6-methylphenyl]pyrazole-5-carboxamide
CID 118496622

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide?
The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide (CID 67464662) is 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide.
What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide?
The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide is CCCNC(=O)c1c(NC(=O)c2cc(OC)nn2-c2ncccc2Cl)c(C)cc2cn(S(C)(=O)=O)nc12.
What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide?
The InChIKey is MULMVGHKRSEHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O5S/c1-5-8-26-23(33)18-19(13(2)10-14-12-30(29-20(14)18)37(4,34)35)27-22(32)16-11-17(36-3)28-31(16)21-15(24)7-6-9-25-21/h6-7,9-12H,5,8H2,1-4H3,(H,26,33)(H,27,32).
What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide?
6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide has a molecular weight of 546.01 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-2-methylsulfonyl-N-propylindazole-7-carboxamide is sourced from PubChem (CID 67464662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).