4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide

C27H35F3N6O3 — CID 162678212

IUPAC4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2nn(C)cc12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C27H35F3N6O3/c1-6-36(18-7-9-35(10-8-18)15-27(28,29)30)24-17(3)19(12-22-21(24)14-34(4)33-22)25(37)31-13-20-23(39-5)11-16(2)32-26(20)38/h11-12,14,18,20H,6-10,13,15H2,1-5H3,(H,31,37)
InChIKeyVBPPDPCGKDBSDR-UHFFFAOYSA-N
MW548.61 g/mol
LogP3.61
Rot. Bonds8

About 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide

4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide (PubChem CID 162678212) has the molecular formula C27H35F3N6O3 and a molecular weight of 548.61 g/mol. Its IUPAC name is 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide.

Molecular Properties

Compound Name4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
PubChem CID162678212
Molecular FormulaC27H35F3N6O3
Molecular Weight548.61 g/mol
Exact Mass548.27
IUPAC Name4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2nn(C)cc12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C27H35F3N6O3/c1-6-36(18-7-9-35(10-8-18)15-27(28,29)30)24-17(3)19(12-22-21(24)14-34(4)33-22)25(37)31-13-20-23(39-5)11-16(2)32-26(20)38/h11-12,14,18,20H,6-10,13,15H2,1-5H3,(H,31,37)
InChIKeyVBPPDPCGKDBSDR-UHFFFAOYSA-N
XLogP3.61
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
The IUPAC name of 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide (CID 162678212) is 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide.
What is the SMILES notation for 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
The canonical SMILES for 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2nn(C)cc12)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
The InChIKey is VBPPDPCGKDBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N6O3/c1-6-36(18-7-9-35(10-8-18)15-27(28,29)30)24-17(3)19(12-22-21(24)14-34(4)33-22)25(37)31-13-20-23(39-5)11-16(2)32-26(20)38/h11-12,14,18,20H,6-10,13,15H2,1-5H3,(H,31,37).
What are the key properties of 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide?
4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 162678212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).