N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C15H20F3N5 — CID 129333757

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1n[nH]c(C)c1CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N5/c1-9-12(10(2)22-21-9)6-19-5-11-3-4-14-20-13(15(16,17)18)8-23(14)7-11/h8,11,19H,3-7H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyGDNMKCOIQVPILE-NSHDSACASA-N
MW327.35 g/mol
LogP2.59
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129333757) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129333757
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1n[nH]c(C)c1CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N5/c1-9-12(10(2)22-21-9)6-19-5-11-3-4-14-20-13(15(16,17)18)8-23(14)7-11/h8,11,19H,3-7H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyGDNMKCOIQVPILE-NSHDSACASA-N
XLogP2.59
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129333757) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1n[nH]c(C)c1CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is GDNMKCOIQVPILE-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N5/c1-9-12(10(2)22-21-9)6-19-5-11-3-4-14-20-13(15(16,17)18)8-23(14)7-11/h8,11,19H,3-7H2,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 327.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129333757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).