[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol

C27H28N4O2 — CID 136962021

IUPAC[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol
SMILESCC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3NC(CO)C4)cc2)cc1
InChIInChI=1S/C27H28N4O2/c1-18(2)20-5-3-19(4-6-20)17-33-24-9-7-21(8-10-24)25-26(22-11-13-28-14-12-22)30-31-15-23(16-32)29-27(25)31/h3-14,18,23,29,32H,15-17H2,1-2H3
InChIKeyIQRCYIUYEJHGNI-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.10
Rot. Bonds7

About [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol

[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol (PubChem CID 136962021) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol.

Molecular Properties

Compound Name[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol
PubChem CID136962021
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol
SMILESCC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3NC(CO)C4)cc2)cc1
InChIInChI=1S/C27H28N4O2/c1-18(2)20-5-3-19(4-6-20)17-33-24-9-7-21(8-10-24)25-26(22-11-13-28-14-12-22)30-31-15-23(16-32)29-27(25)31/h3-14,18,23,29,32H,15-17H2,1-2H3
InChIKeyIQRCYIUYEJHGNI-UHFFFAOYSA-N
XLogP5.10
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol with MolForge

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Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 140792058
ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 144930548
3-[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]propan-1-amine
CID 118407865
5-(2,3-dihydroxypropyl)-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408013
2-[4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 129257861
tert-butyl 4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118408001
5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408122
methyl 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 118407869
3-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408190
3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408333
4-[5-(azidomethyl)-4-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyridine
CID 118408515
2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 176514670

Frequently Asked Questions

What is the IUPAC name of [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol?
The IUPAC name of [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol (CID 136962021) is [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol.
What is the SMILES notation for [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol?
The canonical SMILES for [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol is CC(C)c1ccc(COc2ccc(-c3c(-c4ccncc4)nn4c3NC(CO)C4)cc2)cc1.
What is the InChIKey of [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol?
The InChIKey is IQRCYIUYEJHGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-18(2)20-5-3-19(4-6-20)17-33-24-9-7-21(8-10-24)25-26(22-11-13-28-14-12-22)30-31-15-23(16-32)29-27(25)31/h3-14,18,23,29,32H,15-17H2,1-2H3.
What are the key properties of [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol?
[7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol has a molecular weight of 440.55 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-2-yl]methanol is sourced from PubChem (CID 136962021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).