6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide

C24H26ClN7O4 — CID 71029388

IUPAC6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide
SMILESCOCn1ncc2cc(C)c(NC(=O)c3cc(OC)nn3-c3ncccc3Cl)c(C(=O)NC(C)C)c21
InChIInChI=1S/C24H26ClN7O4/c1-13(2)28-24(34)19-20(14(3)9-15-11-27-31(12-35-4)21(15)19)29-23(33)17-10-18(36-5)30-32(17)22-16(25)7-6-8-26-22/h6-11,13H,12H2,1-5H3,(H,28,34)(H,29,33)
InChIKeyBEEZMHBIGSOUII-UHFFFAOYSA-N
MW511.97 g/mol
LogP3.58
Rot. Bonds8

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

6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide (PubChem CID 71029388) has the molecular formula C24H26ClN7O4 and a molecular weight of 511.97 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide.

Molecular Properties

Compound Name6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide
PubChem CID71029388
Molecular FormulaC24H26ClN7O4
Molecular Weight511.97 g/mol
Exact Mass511.17
IUPAC Name6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide
SMILESCOCn1ncc2cc(C)c(NC(=O)c3cc(OC)nn3-c3ncccc3Cl)c(C(=O)NC(C)C)c21
InChIInChI=1S/C24H26ClN7O4/c1-13(2)28-24(34)19-20(14(3)9-15-11-27-31(12-35-4)21(15)19)29-23(33)17-10-18(36-5)30-32(17)22-16(25)7-6-8-26-22/h6-11,13H,12H2,1-5H3,(H,28,34)(H,29,33)
InChIKeyBEEZMHBIGSOUII-UHFFFAOYSA-N
XLogP3.58
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.97
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
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3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,2-difluoro-6-methyl-4-(propan-2-ylcarbamoyl)-1,3-benzodioxol-5-yl]pyrazole-5-carboxamide
CID 59549362
methyl N-[2-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-cyano-3-methylphenyl]carbamate
CID 140670353
2-decoxyethyl 7-(tert-butylcarbamoyl)-6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methylindazole-2-carboxylate
CID 58500444
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(1,1-dioxothietan-3-yl)oxypyrazole-5-carboxamide
CID 155756181
4-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-2-methyl-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 59022709
methyl 5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-3-methylbenzoate
CID 71467413
1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazole-5-carboxamide
CID 88849632
3-bromo-N-[4-chloro-2-methyl-6-[(E)-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 175484514
N-[4-chloro-2-(1-methoxybutan-2-ylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-thiophen-3-yloxypyrazole-5-carboxamide
CID 175082369

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide?
The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide (CID 71029388) is 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide.
What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide?
The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide is COCn1ncc2cc(C)c(NC(=O)c3cc(OC)nn3-c3ncccc3Cl)c(C(=O)NC(C)C)c21.
What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide?
The InChIKey is BEEZMHBIGSOUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O4/c1-13(2)28-24(34)19-20(14(3)9-15-11-27-31(12-35-4)21(15)19)29-23(33)17-10-18(36-5)30-32(17)22-16(25)7-6-8-26-22/h6-11,13H,12H2,1-5H3,(H,28,34)(H,29,33).
What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide?
6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide has a molecular weight of 511.97 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-1-(methoxymethyl)-5-methyl-N-propan-2-ylindazole-7-carboxamide is sourced from PubChem (CID 71029388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).