2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide

C30H31F5N6O2 — CID 10304206

IUPAC2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide
SMILESCC(C)N1CCC(COc2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc2C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C30H31F5N6O2/c1-18(2)41-12-9-19(10-13-41)17-43-26-15-22(7-8-24(26)29(31,32)30(33,34)35)39-28(42)23-4-3-11-36-27(23)38-21-6-5-20-16-37-40-25(20)14-21/h3-8,11,14-16,18-19H,9-10,12-13,17H2,1-2H3,(H,36,38)(H,37,40)(H,39,42)
InChIKeyNFDCFGMIMRCAJD-UHFFFAOYSA-N
MW602.61 g/mol
LogP7.11
Rot. Bonds9

About 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide (PubChem CID 10304206) has the molecular formula C30H31F5N6O2 and a molecular weight of 602.61 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide
PubChem CID10304206
Molecular FormulaC30H31F5N6O2
Molecular Weight602.61 g/mol
Exact Mass602.24
IUPAC Name2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide
SMILESCC(C)N1CCC(COc2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc2C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C30H31F5N6O2/c1-18(2)41-12-9-19(10-13-41)17-43-26-15-22(7-8-24(26)29(31,32)30(33,34)35)39-28(42)23-4-3-11-36-27(23)38-21-6-5-20-16-37-40-25(20)14-21/h3-8,11,14-16,18-19H,9-10,12-13,17H2,1-2H3,(H,36,38)(H,37,40)(H,39,42)
InChIKeyNFDCFGMIMRCAJD-UHFFFAOYSA-N
XLogP7.11
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.61
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide (CID 10304206) is 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide is CC(C)N1CCC(COc2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc2C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is NFDCFGMIMRCAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F5N6O2/c1-18(2)41-12-9-19(10-13-41)17-43-26-15-22(7-8-24(26)29(31,32)30(33,34)35)39-28(42)23-4-3-11-36-27(23)38-21-6-5-20-16-37-40-25(20)14-21/h3-8,11,14-16,18-19H,9-10,12-13,17H2,1-2H3,(H,36,38)(H,37,40)(H,39,42).
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 602.61 g/mol, XLogP of 7.11, 9 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-[4-(1,1,2,2,2-pentafluoroethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10304206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).