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

C25H23F3N6O2 — CID 10228539

IUPAC2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)20-8-7-17(12-22(20)36-14-18-3-1-9-29-18)33-24(35)19-4-2-10-30-23(19)32-16-6-5-15-13-31-34-21(15)11-16/h2,4-8,10-13,18,29H,1,3,9,14H2,(H,30,32)(H,31,34)(H,33,35)/t18-/m1/s1
InChIKeyATYYPYPKVOJYLY-GOSISDBHSA-N
MW496.49 g/mol
LogP5.10
Rot. Bonds7

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

2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 10228539) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID10228539
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)20-8-7-17(12-22(20)36-14-18-3-1-9-29-18)33-24(35)19-4-2-10-30-23(19)32-16-6-5-15-13-31-34-21(15)11-16/h2,4-8,10-13,18,29H,1,3,9,14H2,(H,30,32)(H,31,34)(H,33,35)/t18-/m1/s1
InChIKeyATYYPYPKVOJYLY-GOSISDBHSA-N
XLogP5.10
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.49
LogP ≤ 55.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 10228539) is 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ATYYPYPKVOJYLY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c26-25(27,28)20-8-7-17(12-22(20)36-14-18-3-1-9-29-18)33-24(35)19-4-2-10-30-23(19)32-16-6-5-15-13-31-34-21(15)11-16/h2,4-8,10-13,18,29H,1,3,9,14H2,(H,30,32)(H,31,34)(H,33,35)/t18-/m1/s1.
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylamino)-N-[3-[[(2R)-pyrrolidin-2-yl]methoxy]-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10228539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).