N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C30H33F3N10O — CID 70902975

IUPACN-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N3CCC(N4CCN(C)CC4)CC3)c2)nn1
InChIInChI=1S/C30H33F3N10O/c1-20-28(15-23(17-36-20)37-29(44)26-14-22(3-6-35-26)30(31,32)33)43-19-27(38-39-43)21-13-25(18-34-16-21)41-7-4-24(5-8-41)42-11-9-40(2)10-12-42/h3,6,13-19,24H,4-5,7-12H2,1-2H3,(H,37,44)
InChIKeyHNXOWPQGIGJZEZ-UHFFFAOYSA-N
MW606.66 g/mol
LogP3.92
Rot. Bonds6

About N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 70902975) has the molecular formula C30H33F3N10O and a molecular weight of 606.66 g/mol. Its IUPAC name is N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID70902975
Molecular FormulaC30H33F3N10O
Molecular Weight606.66 g/mol
Exact Mass606.28
IUPAC NameN-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N3CCC(N4CCN(C)CC4)CC3)c2)nn1
InChIInChI=1S/C30H33F3N10O/c1-20-28(15-23(17-36-20)37-29(44)26-14-22(3-6-35-26)30(31,32)33)43-19-27(38-39-43)21-13-25(18-34-16-21)41-7-4-24(5-8-41)42-11-9-40(2)10-12-42/h3,6,13-19,24H,4-5,7-12H2,1-2H3,(H,37,44)
InChIKeyHNXOWPQGIGJZEZ-UHFFFAOYSA-N
XLogP3.92
TPSA108.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.66
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 70902975) is N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N3CCC(N4CCN(C)CC4)CC3)c2)nn1.
What is the InChIKey of N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HNXOWPQGIGJZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N10O/c1-20-28(15-23(17-36-20)37-29(44)26-14-22(3-6-35-26)30(31,32)33)43-19-27(38-39-43)21-13-25(18-34-16-21)41-7-4-24(5-8-41)42-11-9-40(2)10-12-42/h3,6,13-19,24H,4-5,7-12H2,1-2H3,(H,37,44).
What are the key properties of N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 606.66 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[4-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70902975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).