2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide

C20H23F3N8O2 — CID 166822423

IUPAC2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCC(CC(=O)NCc1ccn2cc(CNC(=O)c3ncnn3CC3CC3)nc2n1)C(F)(F)F
InChIInChI=1S/C20H23F3N8O2/c1-12(20(21,22)23)6-16(32)24-7-14-4-5-30-10-15(29-19(30)28-14)8-25-18(33)17-26-11-27-31(17)9-13-2-3-13/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,32)(H,25,33)
InChIKeyMHARASGRGTYUDW-UHFFFAOYSA-N
MW464.45 g/mol
LogP1.87
Rot. Bonds9

About 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide

2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 166822423) has the molecular formula C20H23F3N8O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID166822423
Molecular FormulaC20H23F3N8O2
Molecular Weight464.45 g/mol
Exact Mass464.19
IUPAC Name2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCC(CC(=O)NCc1ccn2cc(CNC(=O)c3ncnn3CC3CC3)nc2n1)C(F)(F)F
InChIInChI=1S/C20H23F3N8O2/c1-12(20(21,22)23)6-16(32)24-7-14-4-5-30-10-15(29-19(30)28-14)8-25-18(33)17-26-11-27-31(17)9-13-2-3-13/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,32)(H,25,33)
InChIKeyMHARASGRGTYUDW-UHFFFAOYSA-N
XLogP1.87
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

2-(cyclopropylmethyl)-N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 166822516
N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166822660
N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 166822971
2-(cyclopropylmethyl)-1,2,4-triazole-3-carboxylic acid
CID 84652603
N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(3,3,3-trifluoropropyl)triazole-4-carboxamide
CID 166822978
N-[(S)-(4,4-difluorocyclohexyl)-[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166822441
tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
CID 166822363
tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
CID 122483314
3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 47343605
trans-(1R,2R)-N-[(S)-[7-[cyclopropyl-[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 170192077
3-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882794
3-cyclopropyl-N-[(S)-[7-[(S)-cyclopropyl-[[(3S)-4,4,4-trifluoro-3-methylbutanoyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
CID 166822352

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide (CID 166822423) is 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide is CC(CC(=O)NCc1ccn2cc(CNC(=O)c3ncnn3CC3CC3)nc2n1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is MHARASGRGTYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O2/c1-12(20(21,22)23)6-16(32)24-7-14-4-5-30-10-15(29-19(30)28-14)8-25-18(33)17-26-11-27-31(17)9-13-2-3-13/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,32)(H,25,33).
What are the key properties of 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide?
2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 464.45 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-[[7-[[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166822423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).