1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one

C16H14ClN5O — CID 156907175

IUPAC1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one
SMILESO=C1N(Cc2cccc(Cl)c2)CCN1c1nccc2[nH]ncc12
InChIInChI=1S/C16H14ClN5O/c17-12-3-1-2-11(8-12)10-21-6-7-22(16(21)23)15-13-9-19-20-14(13)4-5-18-15/h1-5,8-9H,6-7,10H2,(H,19,20)
InChIKeyXMGGURAYXACURV-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.05
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one

1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one (PubChem CID 156907175) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one
PubChem CID156907175
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one
SMILESO=C1N(Cc2cccc(Cl)c2)CCN1c1nccc2[nH]ncc12
InChIInChI=1S/C16H14ClN5O/c17-12-3-1-2-11(8-12)10-21-6-7-22(16(21)23)15-13-9-19-20-14(13)4-5-18-15/h1-5,8-9H,6-7,10H2,(H,19,20)
InChIKeyXMGGURAYXACURV-UHFFFAOYSA-N
XLogP3.05
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one (CID 156907175) is 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one is O=C1N(Cc2cccc(Cl)c2)CCN1c1nccc2[nH]ncc12.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one?
The InChIKey is XMGGURAYXACURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-12-3-1-2-11(8-12)10-21-6-7-22(16(21)23)15-13-9-19-20-14(13)4-5-18-15/h1-5,8-9H,6-7,10H2,(H,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one?
1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one has a molecular weight of 327.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 156907175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).