5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

C22H22N8O — CID 139508786

IUPAC5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3ccnn3C(C)C)c2n1
InChIInChI=1S/C22H22N8O/c1-4-25-21(31)16-12-29-20(27-16)18(17-8-9-26-30(17)13(2)3)19(28-22(29)24)15-7-5-6-14(10-15)11-23/h5-10,12-13H,4H2,1-3H3,(H2,24,28)(H,25,31)
InChIKeyCXNKJNSOMQSKEL-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.04
Rot. Bonds5

About 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139508786) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139508786
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3ccnn3C(C)C)c2n1
InChIInChI=1S/C22H22N8O/c1-4-25-21(31)16-12-29-20(27-16)18(17-8-9-26-30(17)13(2)3)19(28-22(29)24)15-7-5-6-14(10-15)11-23/h5-10,12-13H,4H2,1-3H3,(H2,24,28)(H,25,31)
InChIKeyCXNKJNSOMQSKEL-UHFFFAOYSA-N
XLogP3.04
TPSA126.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.04
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-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 139508786) is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is CCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3ccnn3C(C)C)c2n1.
What is the InChIKey of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is CXNKJNSOMQSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-4-25-21(31)16-12-29-20(27-16)18(17-8-9-26-30(17)13(2)3)19(28-22(29)24)15-7-5-6-14(10-15)11-23/h5-10,12-13H,4H2,1-3H3,(H2,24,28)(H,25,31).
What are the key properties of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.04, 5 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-(2-propan-2-ylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139508786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).