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

C23H18N8O — CID 139508864

IUPAC5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3cnn4ccccc34)c2n1
InChIInChI=1S/C23H18N8O/c1-2-26-22(32)17-13-30-21(28-17)19(16-12-27-31-9-4-3-8-18(16)31)20(29-23(30)25)15-7-5-6-14(10-15)11-24/h3-10,12-13H,2H2,1H3,(H2,25,29)(H,26,32)
InChIKeyHHLOKXBOTKVWKQ-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.91
Rot. Bonds4

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

5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139508864) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139508864
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3cnn4ccccc34)c2n1
InChIInChI=1S/C23H18N8O/c1-2-26-22(32)17-13-30-21(28-17)19(16-12-27-31-9-4-3-8-18(16)31)20(29-23(30)25)15-7-5-6-14(10-15)11-24/h3-10,12-13H,2H2,1H3,(H2,25,29)(H,26,32)
InChIKeyHHLOKXBOTKVWKQ-UHFFFAOYSA-N
XLogP2.91
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 139508864) is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide is CCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3cnn4ccccc34)c2n1.
What is the InChIKey of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is HHLOKXBOTKVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c1-2-26-22(32)17-13-30-21(28-17)19(16-12-27-31-9-4-3-8-18(16)31)20(29-23(30)25)15-7-5-6-14(10-15)11-24/h3-10,12-13H,2H2,1H3,(H2,25,29)(H,26,32).
What are the key properties of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139508864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).