4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

C23H18N6O2 — CID 139457620

IUPAC4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCOc1nc(-c2ccc(C#N)cc2)c(-c2ccc(N3CCCC3=O)nc2)c2nccn12
InChIInChI=1S/C23H18N6O2/c1-31-23-27-21(16-6-4-15(13-24)5-7-16)20(22-25-10-12-29(22)23)17-8-9-18(26-14-17)28-11-2-3-19(28)30/h4-10,12,14H,2-3,11H2,1H3
InChIKeyCWKAXWWWEOLECT-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.47
Rot. Bonds4

About 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (PubChem CID 139457620) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
PubChem CID139457620
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCOc1nc(-c2ccc(C#N)cc2)c(-c2ccc(N3CCCC3=O)nc2)c2nccn12
InChIInChI=1S/C23H18N6O2/c1-31-23-27-21(16-6-4-15(13-24)5-7-16)20(22-25-10-12-29(22)23)17-8-9-18(26-14-17)28-11-2-3-19(28)30/h4-10,12,14H,2-3,11H2,1H3
InChIKeyCWKAXWWWEOLECT-UHFFFAOYSA-N
XLogP3.47
TPSA96.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (CID 139457620) is 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is COc1nc(-c2ccc(C#N)cc2)c(-c2ccc(N3CCCC3=O)nc2)c2nccn12.
What is the InChIKey of 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is CWKAXWWWEOLECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-31-23-27-21(16-6-4-15(13-24)5-7-16)20(22-25-10-12-29(22)23)17-8-9-18(26-14-17)28-11-2-3-19(28)30/h4-10,12,14H,2-3,11H2,1H3.
What are the key properties of 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 410.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 139457620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).