N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H15ClF5N5O2 — CID 118173016

IUPACN-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H15ClF5N5O2/c21-12-7-14-11(8-31(29-14)9-17(32)30-5-4-19(22,23)10-30)6-15(12)28-18(33)13-2-1-3-16(27-13)20(24,25)26/h1-3,6-8H,4-5,9-10H2,(H,28,33)
InChIKeyDJVSCCMPXOMXSW-UHFFFAOYSA-N
MW487.82 g/mol
LogP4.22
Rot. Bonds4

About N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173016) has the molecular formula C20H15ClF5N5O2 and a molecular weight of 487.82 g/mol. Its IUPAC name is N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173016
Molecular FormulaC20H15ClF5N5O2
Molecular Weight487.82 g/mol
Exact Mass487.08
IUPAC NameN-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H15ClF5N5O2/c21-12-7-14-11(8-31(29-14)9-17(32)30-5-4-19(22,23)10-30)6-15(12)28-18(33)13-2-1-3-16(27-13)20(24,25)26/h1-3,6-8H,4-5,9-10H2,(H,28,33)
InChIKeyDJVSCCMPXOMXSW-UHFFFAOYSA-N
XLogP4.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173016) is N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCC(F)(F)C3)nc2cc1Cl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DJVSCCMPXOMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF5N5O2/c21-12-7-14-11(8-31(29-14)9-17(32)30-5-4-19(22,23)10-30)6-15(12)28-18(33)13-2-1-3-16(27-13)20(24,25)26/h1-3,6-8H,4-5,9-10H2,(H,28,33).
What are the key properties of N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 487.82 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).