N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

C27H24F6N6O2 — CID 58697333

IUPACN-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(OC[C@@H]2CCCN2)(C(F)(F)F)C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C27H24F6N6O2/c28-26(29,30)25(27(31,32)33,41-15-20-6-2-10-34-20)17-4-1-5-18(12-17)38-24(40)21-7-3-11-35-23(21)37-19-9-8-16-14-36-39-22(16)13-19/h1,3-5,7-9,11-14,20,34H,2,6,10,15H2,(H,35,37)(H,36,39)(H,38,40)/t20-/m0/s1
InChIKeySHGKPCSQFBLIML-FQEVSTJZSA-N
MW578.52 g/mol
LogP6.04
Rot. Bonds8

About N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 58697333) has the molecular formula C27H24F6N6O2 and a molecular weight of 578.52 g/mol. Its IUPAC name is N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
PubChem CID58697333
Molecular FormulaC27H24F6N6O2
Molecular Weight578.52 g/mol
Exact Mass578.19
IUPAC NameN-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(OC[C@@H]2CCCN2)(C(F)(F)F)C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C27H24F6N6O2/c28-26(29,30)25(27(31,32)33,41-15-20-6-2-10-34-20)17-4-1-5-18(12-17)38-24(40)21-7-3-11-35-23(21)37-19-9-8-16-14-36-39-22(16)13-19/h1,3-5,7-9,11-14,20,34H,2,6,10,15H2,(H,35,37)(H,36,39)(H,38,40)/t20-/m0/s1
InChIKeySHGKPCSQFBLIML-FQEVSTJZSA-N
XLogP6.04
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.52
LogP ≤ 56.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 58697333) is N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is O=C(Nc1cccc(C(OC[C@@H]2CCCN2)(C(F)(F)F)C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
The InChIKey is SHGKPCSQFBLIML-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H24F6N6O2/c28-26(29,30)25(27(31,32)33,41-15-20-6-2-10-34-20)17-4-1-5-18(12-17)38-24(40)21-7-3-11-35-23(21)37-19-9-8-16-14-36-39-22(16)13-19/h1,3-5,7-9,11-14,20,34H,2,6,10,15H2,(H,35,37)(H,36,39)(H,38,40)/t20-/m0/s1.
What are the key properties of N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 578.52 g/mol, XLogP of 6.04, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,1,1,3,3,3-hexafluoro-2-[[(2S)-pyrrolidin-2-yl]methoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 58697333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).