2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen

C26H25F5N6O2 — CID 159469291

About 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen

2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 159469291) has the molecular formula C26H25F5N6O2 and a molecular weight of 548.52 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 159469291
• Molecular Formula: C26H25F5N6O2
• Molecular Weight: 548.52 g/mol
• Exact Mass: 548.20
• IUPAC Name: 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.[H][H]
• InChI: InChI=1S/C26H23F5N6O2.H2/c27-25(28,26(29,30)31)20-8-7-17(12-22(20)39-14-18-3-1-9-32-18)36-24(38)19-4-2-10-33-23(19)35-16-6-5-15-13-34-37-21(15)11-16;/h2,4-8,10-13,18,32H,1,3,9,14H2,(H,33,35)(H,34,37)(H,36,38);1H/t18-;/m1./s1
• InChIKey: LVPCUROOYFYLMV-GMUIIQOCSA-N
• XLogP: 5.98
• TPSA: 103.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.52
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen (CID 159469291) is 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen is O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.[H][H].

What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is LVPCUROOYFYLMV-GMUIIQOCSA-N. The full InChI is InChI=1S/C26H23F5N6O2.H2/c27-25(28,26(29,30)31)20-8-7-17(12-22(20)39-14-18-3-1-9-32-18)36-24(38)19-4-2-10-33-23(19)35-16-6-5-15-13-34-37-21(15)11-16;/h2,4-8,10-13,18,32H,1,3,9,14H2,(H,33,35)(H,34,37)(H,36,38);1H/t18-;/m1./s1.

What are the key properties of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen?

2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 548.52 g/mol, XLogP of 5.98, 8 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-[4-(1,1,2,2,2-pentafluoroethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159469291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).