N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide

C17H22F3N5O — CID 129329311

IUPACN-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n[nH]1
InChIInChI=1S/C17H22F3N5O/c1-10(2)12-6-13(23-22-12)16(26)24(3)7-11-4-5-15-21-14(17(18,19)20)9-25(15)8-11/h6,9-11H,4-5,7-8H2,1-3H3,(H,22,23)/t11-/m1/s1
InChIKeyDYXWRYLYTMFLIK-LLVKDONJSA-N
MW369.39 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide

N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 129329311) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID129329311
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n[nH]1
InChIInChI=1S/C17H22F3N5O/c1-10(2)12-6-13(23-22-12)16(26)24(3)7-11-4-5-15-21-14(17(18,19)20)9-25(15)8-11/h6,9-11H,4-5,7-8H2,1-3H3,(H,22,23)/t11-/m1/s1
InChIKeyDYXWRYLYTMFLIK-LLVKDONJSA-N
XLogP3.08
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide (CID 129329311) is N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n[nH]1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DYXWRYLYTMFLIK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-10(2)12-6-13(23-22-12)16(26)24(3)7-11-4-5-15-21-14(17(18,19)20)9-25(15)8-11/h6,9-11H,4-5,7-8H2,1-3H3,(H,22,23)/t11-/m1/s1.
What are the key properties of N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 129329311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).