2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine

C19H18N6O — CID 141275712

IUPAC2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine
SMILESc1ccc(-c2[nH]c(-c3ccn[nH]3)c(-c3ncc[nH]3)c2C2CCCO2)nc1
InChIInChI=1S/C19H18N6O/c1-2-7-20-12(4-1)17-15(14-5-3-11-26-14)16(19-21-9-10-22-19)18(24-17)13-6-8-23-25-13/h1-2,4,6-10,14,24H,3,5,11H2,(H,21,22)(H,23,25)
InChIKeyFZIVQVLRSYZZEN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.71
Rot. Bonds4

About 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine

2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine (PubChem CID 141275712) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine
PubChem CID141275712
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine
SMILESc1ccc(-c2[nH]c(-c3ccn[nH]3)c(-c3ncc[nH]3)c2C2CCCO2)nc1
InChIInChI=1S/C19H18N6O/c1-2-7-20-12(4-1)17-15(14-5-3-11-26-14)16(19-21-9-10-22-19)18(24-17)13-6-8-23-25-13/h1-2,4,6-10,14,24H,3,5,11H2,(H,21,22)(H,23,25)
InChIKeyFZIVQVLRSYZZEN-UHFFFAOYSA-N
XLogP3.71
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135497881
N-(1H-indol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 127028337
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135497884
3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137110062
N-[[4-methyl-5-[3-[6-(propan-2-yloxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136086932
2-[difluoro-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(propan-2-yloxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44622580
2-[(4-fluorophenyl)-(3-pyrrolidin-1-ylpropoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45101371
2-[(4-fluorophenyl)-(2-pyrrolidin-1-ylethoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494438
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[3-ethyl-2-(1H-pyrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]oxan-3-amine
CID 118614003
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[3-ethyl-2-(1H-pyrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-N-methyloxan-3-amine
CID 118614123
N-[[4-[5-[1-(4-fluorophenyl)-1-methoxyethyl]pyrimidin-2-yl]piperazin-1-yl]-[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]methylidene]methanimidamide
CID 137282008
N-[[4-[5-[(1S)-1-(4-fluorophenyl)-1-methoxyethyl]pyrimidin-2-yl]piperazin-1-yl]-[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]methylidene]methanimidamide
CID 161161909

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine (CID 141275712) is 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine is c1ccc(-c2[nH]c(-c3ccn[nH]3)c(-c3ncc[nH]3)c2C2CCCO2)nc1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is FZIVQVLRSYZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-7-20-12(4-1)17-15(14-5-3-11-26-14)16(19-21-9-10-22-19)18(24-17)13-6-8-23-25-13/h1-2,4,6-10,14,24H,3,5,11H2,(H,21,22)(H,23,25).
What are the key properties of 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine?
2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 346.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 141275712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).