3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

C21H22N6O — CID 57401258

IUPAC3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4cn[nH]c4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-18(12-22-19)16-8-6-15(7-9-16)17-10-23-24-11-17/h6-12,14H,1-5,13H2,(H,23,24)(H,22,26,28)
InChIKeyPYCNDDRHPKYGKP-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.76
Rot. Bonds4

About 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57401258) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57401258
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4cn[nH]c4)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-18(12-22-19)16-8-6-15(7-9-16)17-10-23-24-11-17/h6-12,14H,1-5,13H2,(H,23,24)(H,22,26,28)
InChIKeyPYCNDDRHPKYGKP-UHFFFAOYSA-N
XLogP3.76
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 57401258) is 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-c4cn[nH]c4)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is PYCNDDRHPKYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-18(12-22-19)16-8-6-15(7-9-16)17-10-23-24-11-17/h6-12,14H,1-5,13H2,(H,23,24)(H,22,26,28).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 374.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57401258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).