6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide

C26H21Cl2N7O3 — CID 175571154

IUPAC6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide
SMILESCOC(c1ccc(Cl)cc1)c1cc(C(=O)Nc2c(C)cc3cn[nH]c3c2C(N)=O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C26H21Cl2N7O3/c1-13-10-15-12-31-33-22(15)20(24(29)36)21(13)32-26(37)19-11-18(23(38-2)14-5-7-16(27)8-6-14)34-35(19)25-17(28)4-3-9-30-25/h3-12,23H,1-2H3,(H2,29,36)(H,31,33)(H,32,37)
InChIKeyWMOMCNDHCQLMBT-UHFFFAOYSA-N
MW550.41 g/mol
LogP4.85
Rot. Bonds7

About 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide

6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide (PubChem CID 175571154) has the molecular formula C26H21Cl2N7O3 and a molecular weight of 550.41 g/mol. Its IUPAC name is 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide
PubChem CID175571154
Molecular FormulaC26H21Cl2N7O3
Molecular Weight550.41 g/mol
Exact Mass549.11
IUPAC Name6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide
SMILESCOC(c1ccc(Cl)cc1)c1cc(C(=O)Nc2c(C)cc3cn[nH]c3c2C(N)=O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C26H21Cl2N7O3/c1-13-10-15-12-31-33-22(15)20(24(29)36)21(13)32-26(37)19-11-18(23(38-2)14-5-7-16(27)8-6-14)34-35(19)25-17(28)4-3-9-30-25/h3-12,23H,1-2H3,(H2,29,36)(H,31,33)(H,32,37)
InChIKeyWMOMCNDHCQLMBT-UHFFFAOYSA-N
XLogP4.85
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.41
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-chloro-4-(dimethylcarbamoyl)-2-pyridinyl]-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 57404496
[5-[[4-Chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methyl benzoate
CID 50905435
Benzyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907544
Cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907754
7-[2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyrazolo[3,4-f][3,1]benzoxazin-9-one
CID 57990088
7-[2-(3-chloro-pyridin-2-yl)-5-difluoromethyl-2H-pyrazol-3-yl]-5-methyl-1H-8-oxa-1,2,6-triaza-cyclopenta[a]naphthalen-9-one
CID 57990158
Cyclopropylmethyl 1-carbamoyl-6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]indazole-7-carboxylate
CID 68901831
6-[[2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1H-indazole-7-carboxylic acid
CID 68903708
7-[2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-1H-pyrazolo[3,4-f][3,1]benzoxazin-9-one
CID 68904480
7-[1-(3-chloro-2-pyridinyl)-3-(fluoromethyl)pyrazol-5-yl]-5-methyl-1H-pyrazolo[5,4-f][3,1]benzoxazin-9-one
CID 70986839
6-[[2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-5-ethynyl-1H-indazole-7-carboxylic acid
CID 154064359
7-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-5-methyl-1H-pyrazolo[5,4-f][3,1]benzoxazin-9-one
CID 167443099

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?
The IUPAC name of 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide (CID 175571154) is 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide is COC(c1ccc(Cl)cc1)c1cc(C(=O)Nc2c(C)cc3cn[nH]c3c2C(N)=O)n(-c2ncccc2Cl)n1.
What is the InChIKey of 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?
The InChIKey is WMOMCNDHCQLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N7O3/c1-13-10-15-12-31-33-22(15)20(24(29)36)21(13)32-26(37)19-11-18(23(38-2)14-5-7-16(27)8-6-14)34-35(19)25-17(28)4-3-9-30-25/h3-12,23H,1-2H3,(H2,29,36)(H,31,33)(H,32,37).
What are the key properties of 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide?
6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide has a molecular weight of 550.41 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(4-chlorophenyl)-methoxymethyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 175571154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).