1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide

C18H17ClN4O3S — CID 70355200

IUPAC1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide
SMILESCc1nn(-c2cnc(C3CC3)c(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C18H17ClN4O3S/c1-10-14-7-12(18(24)22-27(2,25)26)5-6-16(14)23(21-10)13-8-15(19)17(20-9-13)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,22,24)
InChIKeyCBAGZWAVUQOTTQ-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.95
Rot. Bonds4

About 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide

1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide (PubChem CID 70355200) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide
PubChem CID70355200
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide
SMILESCc1nn(-c2cnc(C3CC3)c(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C18H17ClN4O3S/c1-10-14-7-12(18(24)22-27(2,25)26)5-6-16(14)23(21-10)13-8-15(19)17(20-9-13)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,22,24)
InChIKeyCBAGZWAVUQOTTQ-UHFFFAOYSA-N
XLogP2.95
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
The IUPAC name of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide (CID 70355200) is 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
The canonical SMILES for 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide is Cc1nn(-c2cnc(C3CC3)c(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12.
What is the InChIKey of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
The InChIKey is CBAGZWAVUQOTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-10-14-7-12(18(24)22-27(2,25)26)5-6-16(14)23(21-10)13-8-15(19)17(20-9-13)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide?
1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-3-methyl-N-methylsulfonylindazole-5-carboxamide is sourced from PubChem (CID 70355200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).