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

C20H22F2N8O2 — CID 166822516

IUPAC2-(cyclopropylmethyl)-N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(CC1CC1(F)F)NCc1ccn2cc(CNC(=O)c3ncnn3CC3CC3)nc2n1
InChIInChI=1S/C20H22F2N8O2/c21-20(22)6-13(20)5-16(31)23-7-14-3-4-29-10-15(28-19(29)27-14)8-24-18(32)17-25-11-26-30(17)9-12-1-2-12/h3-4,10-13H,1-2,5-9H2,(H,23,31)(H,24,32)
InChIKeyAJSYJRIFOWZHMI-UHFFFAOYSA-N
MW444.45 g/mol
LogP1.32
Rot. Bonds9

About 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

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 (PubChem CID 166822516) has the molecular formula C20H22F2N8O2 and a molecular weight of 444.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID166822516
Molecular FormulaC20H22F2N8O2
Molecular Weight444.45 g/mol
Exact Mass444.18
IUPAC Name2-(cyclopropylmethyl)-N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(CC1CC1(F)F)NCc1ccn2cc(CNC(=O)c3ncnn3CC3CC3)nc2n1
InChIInChI=1S/C20H22F2N8O2/c21-20(22)6-13(20)5-16(31)23-7-14-3-4-29-10-15(28-19(29)27-14)8-24-18(32)17-25-11-26-30(17)9-12-1-2-12/h3-4,10-13H,1-2,5-9H2,(H,23,31)(H,24,32)
InChIKeyAJSYJRIFOWZHMI-UHFFFAOYSA-N
XLogP1.32
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
CID 166822363
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
N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166822660
2-(cyclopropylmethyl)-1,2,4-triazole-3-carboxylic acid
CID 84652603
N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166825758
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
2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 125438130
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
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 71930246
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 166620051
2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122562469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CC1CC1(F)F)NCc1ccn2cc(CNC(=O)c3ncnn3CC3CC3)nc2n1.
What is the InChIKey of 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?
The InChIKey is AJSYJRIFOWZHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N8O2/c21-20(22)6-13(20)5-16(31)23-7-14-3-4-29-10-15(28-19(29)27-14)8-24-18(32)17-25-11-26-30(17)9-12-1-2-12/h3-4,10-13H,1-2,5-9H2,(H,23,31)(H,24,32).
What are the key properties of 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?
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 has a molecular weight of 444.45 g/mol, XLogP of 1.32, 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-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166822516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).