1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide

C18H21N5O2 — CID 95133340

IUPAC1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)c12
InChIInChI=1S/C18H21N5O2/c1-21-8-9-23-17(21)16(11-20-23)18(24)22(13-15-3-2-10-25-15)12-14-4-6-19-7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3/t15-/m0/s1
InChIKeyYNVGOQYTNLAWMB-HNNXBMFYSA-N
MW339.40 g/mol
LogP1.89
Rot. Bonds5

About 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 95133340) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID95133340
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)c12
InChIInChI=1S/C18H21N5O2/c1-21-8-9-23-17(21)16(11-20-23)18(24)22(13-15-3-2-10-25-15)12-14-4-6-19-7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3/t15-/m0/s1
InChIKeyYNVGOQYTNLAWMB-HNNXBMFYSA-N
XLogP1.89
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 99941251
N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77090970
5-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126426959
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 90648755
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 125178218

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide (CID 95133340) is 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)c12.
What is the InChIKey of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is YNVGOQYTNLAWMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-8-9-23-17(21)16(11-20-23)18(24)22(13-15-3-2-10-25-15)12-14-4-6-19-7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 95133340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).