2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C25H23F3N6O — CID 156830500

IUPAC2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCCc4cn[nH]c43)ccc2nc1N
InChIInChI=1S/C25H23F3N6O/c1-14-9-17-10-15(5-8-20(17)32-23(14)29)24(35)34(21-4-2-3-16-11-31-33-22(16)21)13-19-7-6-18(12-30-19)25(26,27)28/h5-12,21H,2-4,13H2,1H3,(H2,29,32)(H,31,33)/t21-/m1/s1
InChIKeyZDDPOIHQWSXGDO-OAQYLSRUSA-N
MW480.49 g/mol
LogP4.98
Rot. Bonds4

About 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830500) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830500
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC Name2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCCc4cn[nH]c43)ccc2nc1N
InChIInChI=1S/C25H23F3N6O/c1-14-9-17-10-15(5-8-20(17)32-23(14)29)24(35)34(21-4-2-3-16-11-31-33-22(16)21)13-19-7-6-18(12-30-19)25(26,27)28/h5-12,21H,2-4,13H2,1H3,(H2,29,32)(H,31,33)/t21-/m1/s1
InChIKeyZDDPOIHQWSXGDO-OAQYLSRUSA-N
XLogP4.98
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830500) is 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCCc4cn[nH]c43)ccc2nc1N.
What is the InChIKey of 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is ZDDPOIHQWSXGDO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-14-9-17-10-15(5-8-20(17)32-23(14)29)24(35)34(21-4-2-3-16-11-31-33-22(16)21)13-19-7-6-18(12-30-19)25(26,27)28/h5-12,21H,2-4,13H2,1H3,(H2,29,32)(H,31,33)/t21-/m1/s1.
What are the key properties of 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).