2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H25F3N6O2 — CID 10118364

IUPAC2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCC[C@H]1COc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H25F3N6O2/c1-35-9-3-4-20(35)15-37-21-11-17(26(27,28)29)10-19(12-21)33-25(36)22-5-2-8-30-24(22)32-18-7-6-16-14-31-34-23(16)13-18/h2,5-8,10-14,20H,3-4,9,15H2,1H3,(H,30,32)(H,31,34)(H,33,36)/t20-/m0/s1
InChIKeyHHNUAACALDLUQV-FQEVSTJZSA-N
MW510.52 g/mol
LogP5.45
Rot. Bonds7

About 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 10118364) 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-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID10118364
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCC[C@H]1COc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H25F3N6O2/c1-35-9-3-4-20(35)15-37-21-11-17(26(27,28)29)10-19(12-21)33-25(36)22-5-2-8-30-24(22)32-18-7-6-16-14-31-34-23(16)13-18/h2,5-8,10-14,20H,3-4,9,15H2,1H3,(H,30,32)(H,31,34)(H,33,36)/t20-/m0/s1
InChIKeyHHNUAACALDLUQV-FQEVSTJZSA-N
XLogP5.45
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
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-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 10118364) is 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CN1CCC[C@H]1COc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is HHNUAACALDLUQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-35-9-3-4-20(35)15-37-21-11-17(26(27,28)29)10-19(12-21)33-25(36)22-5-2-8-30-24(22)32-18-7-6-16-14-31-34-23(16)13-18/h2,5-8,10-14,20H,3-4,9,15H2,1H3,(H,30,32)(H,31,34)(H,33,36)/t20-/m0/s1.
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 5.45, 7 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-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10118364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).