3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide

C22H21ClF3N5O3S — CID 155671166

IUPAC3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
SMILESCn1nc(C2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C22H21ClF3N5O3S/c1-30-18-8-12(21(32)29-35(33,34)15-3-4-15)2-5-16(18)19(28-30)13-6-7-31(11-13)20-17(23)9-14(10-27-20)22(24,25)26/h2,5,8-10,13,15H,3-4,6-7,11H2,1H3,(H,29,32)
InChIKeyRNHTVCSCNFWMJO-UHFFFAOYSA-N
MW527.96 g/mol
LogP3.86
Rot. Bonds5

About 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide

3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide (PubChem CID 155671166) has the molecular formula C22H21ClF3N5O3S and a molecular weight of 527.96 g/mol. Its IUPAC name is 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
PubChem CID155671166
Molecular FormulaC22H21ClF3N5O3S
Molecular Weight527.96 g/mol
Exact Mass527.10
IUPAC Name3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
SMILESCn1nc(C2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C22H21ClF3N5O3S/c1-30-18-8-12(21(32)29-35(33,34)15-3-4-15)2-5-16(18)19(28-30)13-6-7-31(11-13)20-17(23)9-14(10-27-20)22(24,25)26/h2,5,8-10,13,15H,3-4,6-7,11H2,1H3,(H,29,32)
InChIKeyRNHTVCSCNFWMJO-UHFFFAOYSA-N
XLogP3.86
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.96
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide with MolForge

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Related Compounds

3-[1-[2-chloro-4-(trifluoromethyl)phenyl]azetidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
CID 155671189
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163344238
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547
4-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylazetidin-3-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide
CID 118120216
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] 4-methoxybenzoate
CID 110208786
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 55783271
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
The IUPAC name of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide (CID 155671166) is 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide.
What is the SMILES notation for 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
The canonical SMILES for 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide is Cn1nc(C2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.
What is the InChIKey of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
The InChIKey is RNHTVCSCNFWMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5O3S/c1-30-18-8-12(21(32)29-35(33,34)15-3-4-15)2-5-16(18)19(28-30)13-6-7-31(11-13)20-17(23)9-14(10-27-20)22(24,25)26/h2,5,8-10,13,15H,3-4,6-7,11H2,1H3,(H,29,32).
What are the key properties of 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide has a molecular weight of 527.96 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide is sourced from PubChem (CID 155671166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).