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

C22H22N8O — CID 139508776

IUPAC5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCCn1nccc1-c1c(-c2cccc(C#N)c2)nc(N)n2cc(C(=O)NCC)nc12
InChIInChI=1S/C22H22N8O/c1-3-10-30-17(8-9-26-30)18-19(15-7-5-6-14(11-15)12-23)28-22(24)29-13-16(27-20(18)29)21(31)25-4-2/h5-9,11,13H,3-4,10H2,1-2H3,(H2,24,28)(H,25,31)
InChIKeyWVRWSSYZZQHUPS-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.87
Rot. Bonds6

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

5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139508776) 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-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139508776
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCCn1nccc1-c1c(-c2cccc(C#N)c2)nc(N)n2cc(C(=O)NCC)nc12
InChIInChI=1S/C22H22N8O/c1-3-10-30-17(8-9-26-30)18-19(15-7-5-6-14(11-15)12-23)28-22(24)29-13-16(27-20(18)29)21(31)25-4-2/h5-9,11,13H,3-4,10H2,1-2H3,(H2,24,28)(H,25,31)
InChIKeyWVRWSSYZZQHUPS-UHFFFAOYSA-N
XLogP2.87
TPSA126.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.87
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-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 139508776) is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is CCCn1nccc1-c1c(-c2cccc(C#N)c2)nc(N)n2cc(C(=O)NCC)nc12.
What is the InChIKey of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is WVRWSSYZZQHUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-3-10-30-17(8-9-26-30)18-19(15-7-5-6-14(11-15)12-23)28-22(24)29-13-16(27-20(18)29)21(31)25-4-2/h5-9,11,13H,3-4,10H2,1-2H3,(H2,24,28)(H,25,31).
What are the key properties of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.87, 6 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-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139508776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).