2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine

C19H19N7 — CID 95225534

IUPAC2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(-n2nc(C3CC3)nc2[C@@H](Cc2cnc[nH]2)n2cccc2)nc1
InChIInChI=1S/C19H19N7/c1-2-8-21-17(5-1)26-19(23-18(24-26)14-6-7-14)16(25-9-3-4-10-25)11-15-12-20-13-22-15/h1-5,8-10,12-14,16H,6-7,11H2,(H,20,22)/t16-/m1/s1
InChIKeyWVPORSAAMGAAJD-MRXNPFEDSA-N
MW345.41 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine

2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 95225534) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID95225534
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(-n2nc(C3CC3)nc2[C@@H](Cc2cnc[nH]2)n2cccc2)nc1
InChIInChI=1S/C19H19N7/c1-2-8-21-17(5-1)26-19(23-18(24-26)14-6-7-14)16(25-9-3-4-10-25)11-15-12-20-13-22-15/h1-5,8-10,12-14,16H,6-7,11H2,(H,20,22)/t16-/m1/s1
InChIKeyWVPORSAAMGAAJD-MRXNPFEDSA-N
XLogP2.90
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(benzenesulfonyl)ethyl]-3-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
CID 74250876
6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
CID 50949448
2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
CID 50961433
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
2-(1H-imidazol-5-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 99988134
(2S)-N-benzyl-1-chloro-3-(1H-imidazol-5-yl)propan-2-amine
CID 7205295
2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131934853
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 65439896
2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine
CID 50960292
(2S)-3-(1H-imidazol-5-yl)-2-[[(4R)-3-pyridin-2-yl-4,5-dihydro-1H-pyrazol-4-yl]amino]propanoic acid
CID 670999

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine (CID 95225534) is 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine is c1ccc(-n2nc(C3CC3)nc2[C@@H](Cc2cnc[nH]2)n2cccc2)nc1.
What is the InChIKey of 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is WVPORSAAMGAAJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N7/c1-2-8-21-17(5-1)26-19(23-18(24-26)14-6-7-14)16(25-9-3-4-10-25)11-15-12-20-13-22-15/h1-5,8-10,12-14,16H,6-7,11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine?
2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 345.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 95225534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).