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

C26H25F3N6O — CID 156830169

IUPAC2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCCc4nn(C)cc43)ccc2nc1N
InChIInChI=1S/C26H25F3N6O/c1-15-10-17-11-16(6-9-21(17)32-24(15)30)25(36)35(13-19-8-7-18(12-31-19)26(27,28)29)23-5-3-4-22-20(23)14-34(2)33-22/h6-12,14,23H,3-5,13H2,1-2H3,(H2,30,32)/t23-/m1/s1
InChIKeyWJXZGNFEFKBHPI-HSZRJFAPSA-N
MW494.52 g/mol
LogP4.99
Rot. Bonds4

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

2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830169) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID156830169
Molecular FormulaC26H25F3N6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCCc4nn(C)cc43)ccc2nc1N
InChIInChI=1S/C26H25F3N6O/c1-15-10-17-11-16(6-9-21(17)32-24(15)30)25(36)35(13-19-8-7-18(12-31-19)26(27,28)29)23-5-3-4-22-20(23)14-34(2)33-22/h6-12,14,23H,3-5,13H2,1-2H3,(H2,30,32)/t23-/m1/s1
InChIKeyWJXZGNFEFKBHPI-HSZRJFAPSA-N
XLogP4.99
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-3-methyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830781
2-amino-3-methyl-N-[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830050
2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830564
2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830402
2-amino-N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830326
2-amino-N-[(4R)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830726
2-amino-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830684
2-amino-N-[(3S,4S)-4-methoxyoxan-3-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156831050
2-amino-N-[(5S)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830949
2-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830258
2-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830926
2-amino-3-methyl-N-[(1R)-1-(oxan-4-yl)propyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830827

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830169) is 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H]3CCCc4nn(C)cc43)ccc2nc1N.
What is the InChIKey of 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is WJXZGNFEFKBHPI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25F3N6O/c1-15-10-17-11-16(6-9-21(17)32-24(15)30)25(36)35(13-19-8-7-18(12-31-19)26(27,28)29)23-5-3-4-22-20(23)14-34(2)33-22/h6-12,14,23H,3-5,13H2,1-2H3,(H2,30,32)/t23-/m1/s1.
What are the key properties of 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).