(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide

C20H21N5O — CID 137054651

IUPAC(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCc1nn2c(c1C(=O)NCc1ccccn1)N[C@H](c1ccccc1)C2
InChIInChI=1S/C20H21N5O/c1-2-16-18(20(26)22-12-15-10-6-7-11-21-15)19-23-17(13-25(19)24-16)14-8-4-3-5-9-14/h3-11,17,23H,2,12-13H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyRSMFZVFJUIZGRU-KRWDZBQOSA-N
MW347.42 g/mol
LogP2.94
Rot. Bonds5

About (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide

(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 137054651) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID137054651
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCc1nn2c(c1C(=O)NCc1ccccn1)N[C@H](c1ccccc1)C2
InChIInChI=1S/C20H21N5O/c1-2-16-18(20(26)22-12-15-10-6-7-11-21-15)19-23-17(13-25(19)24-16)14-8-4-3-5-9-14/h3-11,17,23H,2,12-13H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyRSMFZVFJUIZGRU-KRWDZBQOSA-N
XLogP2.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
CID 136661864
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580087
1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818390
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
5-(1-ethylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56722158
5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
ethyl 3,5-dimethyl-4-(pyridin-2-ylmethylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 3236702
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560

Frequently Asked Questions

What is the IUPAC name of (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide (CID 137054651) is (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide is CCc1nn2c(c1C(=O)NCc1ccccn1)N[C@H](c1ccccc1)C2.
What is the InChIKey of (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is RSMFZVFJUIZGRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-16-18(20(26)22-12-15-10-6-7-11-21-15)19-23-17(13-25(19)24-16)14-8-4-3-5-9-14/h3-11,17,23H,2,12-13H2,1H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide?
(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 137054651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).