2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H25F3N6O2 — CID 10301124

IUPAC2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(OCCN2CCCC2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)21-8-7-19(15-23(21)37-13-12-35-10-1-2-11-35)33-25(36)20-4-3-9-30-24(20)32-18-6-5-17-16-31-34-22(17)14-18/h3-9,14-16H,1-2,10-13H2,(H,30,32)(H,31,34)(H,33,36)
InChIKeyALHPCRJHFWJYHN-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.45
Rot. Bonds8

About 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 10301124) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID10301124
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(OCCN2CCCC2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)21-8-7-19(15-23(21)37-13-12-35-10-1-2-11-35)33-25(36)20-4-3-9-30-24(20)32-18-6-5-17-16-31-34-22(17)14-18/h3-9,14-16H,1-2,10-13H2,(H,30,32)(H,31,34)(H,33,36)
InChIKeyALHPCRJHFWJYHN-UHFFFAOYSA-N
XLogP5.45
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 10301124) is 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(OCCN2CCCC2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ALHPCRJHFWJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c27-26(28,29)21-8-7-19(15-23(21)37-13-12-35-10-1-2-11-35)33-25(36)20-4-3-9-30-24(20)32-18-6-5-17-16-31-34-22(17)14-18/h3-9,14-16H,1-2,10-13H2,(H,30,32)(H,31,34)(H,33,36).
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 5.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylamino)-N-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10301124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).