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

C23H21N7O2 — CID 139508857

IUPAC5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(-c3cccc(C#N)c3)nc(N)n2c1C
InChIInChI=1S/C23H21N7O2/c1-4-26-22(31)19-13(2)30-21(28-19)18(15-8-9-27-17(11-15)32-3)20(29-23(30)25)16-7-5-6-14(10-16)12-24/h5-11H,4H2,1-3H3,(H2,25,29)(H,26,31)
InChIKeyPUHOETZEKRBPKX-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.98
Rot. Bonds5

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

5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139508857) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139508857
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(-c3cccc(C#N)c3)nc(N)n2c1C
InChIInChI=1S/C23H21N7O2/c1-4-26-22(31)19-13(2)30-21(28-19)18(15-8-9-27-17(11-15)32-3)20(29-23(30)25)16-7-5-6-14(10-16)12-24/h5-11H,4H2,1-3H3,(H2,25,29)(H,26,31)
InChIKeyPUHOETZEKRBPKX-UHFFFAOYSA-N
XLogP2.98
TPSA131.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.98
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-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 139508857) is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[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-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide is CCNC(=O)c1nc2c(-c3ccnc(OC)c3)c(-c3cccc(C#N)c3)nc(N)n2c1C.
What is the InChIKey of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is PUHOETZEKRBPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-4-26-22(31)19-13(2)30-21(28-19)18(15-8-9-27-17(11-15)32-3)20(29-23(30)25)16-7-5-6-14(10-16)12-24/h5-11H,4H2,1-3H3,(H2,25,29)(H,26,31).
What are the key properties of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 2.98, 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-methoxy-4-pyridinyl)-3-methylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139508857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).