5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide

C27H22N8O2 — CID 139508825

IUPAC5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(-c3cccc(C#N)c3)nc(N)n2c1-c1ccccn1
InChIInChI=1S/C27H22N8O2/c1-3-30-26(36)23-24(19-9-4-5-11-31-19)35-25(33-23)21(17-10-12-32-20(14-17)37-2)22(34-27(35)29)18-8-6-7-16(13-18)15-28/h4-14H,3H2,1-2H3,(H2,29,34)(H,30,36)
InChIKeyDXKIHUZGUAVEHF-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.73
Rot. Bonds6

About 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide

5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139508825) has the molecular formula C27H22N8O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139508825
Molecular FormulaC27H22N8O2
Molecular Weight490.53 g/mol
Exact Mass490.19
IUPAC Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(-c3cccc(C#N)c3)nc(N)n2c1-c1ccccn1
InChIInChI=1S/C27H22N8O2/c1-3-30-26(36)23-24(19-9-4-5-11-31-19)35-25(33-23)21(17-10-12-32-20(14-17)37-2)22(34-27(35)29)18-8-6-7-16(13-18)15-28/h4-14H,3H2,1-2H3,(H2,29,34)(H,30,36)
InChIKeyDXKIHUZGUAVEHF-UHFFFAOYSA-N
XLogP3.73
TPSA144.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 139508825) is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide is CCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(-c3cccc(C#N)c3)nc(N)n2c1-c1ccccn1.
What is the InChIKey of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is DXKIHUZGUAVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O2/c1-3-30-26(36)23-24(19-9-4-5-11-31-19)35-25(33-23)21(17-10-12-32-20(14-17)37-2)22(34-27(35)29)18-8-6-7-16(13-18)15-28/h4-14H,3H2,1-2H3,(H2,29,34)(H,30,36).
What are the key properties of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-pyridin-2-ylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139508825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).