(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H30F3N5O2 — CID 26227330

IUPAC(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C23H30F3N5O2/c1-30-20-6-5-18(28-15-16-3-2-4-17(13-16)23(24,25)26)14-19(20)21(29-30)22(32)27-7-8-31-9-11-33-12-10-31/h2-4,13,18,28H,5-12,14-15H2,1H3,(H,27,32)/t18-/m1/s1
InChIKeyNHWMLUKJIKGUBS-GOSISDBHSA-N
MW465.52 g/mol
LogP2.15
Rot. Bonds7

About (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26227330) has the molecular formula C23H30F3N5O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26227330
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC Name(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C23H30F3N5O2/c1-30-20-6-5-18(28-15-16-3-2-4-17(13-16)23(24,25)26)14-19(20)21(29-30)22(32)27-7-8-31-9-11-33-12-10-31/h2-4,13,18,28H,5-12,14-15H2,1H3,(H,27,32)/t18-/m1/s1
InChIKeyNHWMLUKJIKGUBS-GOSISDBHSA-N
XLogP2.15
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N,1-dimethyl-5-(3-morpholin-4-ylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163436
N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165457
[5-[(3-fluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45163484
[5-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45164644
(5S)-5-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26228323
N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162379
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
1-methyl-N-(2-phenylethyl)-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165012
[5-[(2,6-difluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161357
[5-[(3-methylphenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45163692

Frequently Asked Questions

What is the IUPAC name of (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26227330) is (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)NCCN2CCOCC2)c2c1CC[C@@H](NCc1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is NHWMLUKJIKGUBS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-30-20-6-5-18(28-15-16-3-2-4-17(13-16)23(24,25)26)14-19(20)21(29-30)22(32)27-7-8-31-9-11-33-12-10-31/h2-4,13,18,28H,5-12,14-15H2,1H3,(H,27,32)/t18-/m1/s1.
What are the key properties of (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26227330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).