N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

C29H28F6N6O2 — CID 10282326

IUPACN-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C29H28F6N6O2/c30-28(31,32)27(29(33,34)35,43-16-15-41-13-2-1-3-14-41)20-7-10-21(11-8-20)39-26(42)23-5-4-12-36-25(23)38-22-9-6-19-18-37-40-24(19)17-22/h4-12,17-18H,1-3,13-16H2,(H,36,38)(H,37,40)(H,39,42)
InChIKeyCRWITINLCRDILY-UHFFFAOYSA-N
MW606.57 g/mol
LogP6.78
Rot. Bonds9

About N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 10282326) has the molecular formula C29H28F6N6O2 and a molecular weight of 606.57 g/mol. Its IUPAC name is N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
PubChem CID10282326
Molecular FormulaC29H28F6N6O2
Molecular Weight606.57 g/mol
Exact Mass606.22
IUPAC NameN-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C29H28F6N6O2/c30-28(31,32)27(29(33,34)35,43-16-15-41-13-2-1-3-14-41)20-7-10-21(11-8-20)39-26(42)23-5-4-12-36-25(23)38-22-9-6-19-18-37-40-24(19)17-22/h4-12,17-18H,1-3,13-16H2,(H,36,38)(H,37,40)(H,39,42)
InChIKeyCRWITINLCRDILY-UHFFFAOYSA-N
XLogP6.78
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.57
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)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-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 10282326) is N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is O=C(Nc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
The InChIKey is CRWITINLCRDILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F6N6O2/c30-28(31,32)27(29(33,34)35,43-16-15-41-13-2-1-3-14-41)20-7-10-21(11-8-20)39-26(42)23-5-4-12-36-25(23)38-22-9-6-19-18-37-40-24(19)17-22/h4-12,17-18H,1-3,13-16H2,(H,36,38)(H,37,40)(H,39,42).
What are the key properties of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?
N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 606.57 g/mol, XLogP of 6.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-piperidin-1-ylethoxy)propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10282326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).