5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide

C25H25Cl2N9O — CID 59312928

IUPAC5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1
InChIInChI=1S/C25H25Cl2N9O/c1-35(2)10-9-30-24(37)21-15-36-23(33-21)12-20(18-5-4-17(26)11-19(18)27)34-25(36)31-8-7-29-22-6-3-16(13-28)14-32-22/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,29,32)(H,30,37)(H,31,34)
InChIKeyJWDCZQUZXIAZES-UHFFFAOYSA-N
MW538.44 g/mol
LogP3.79
Rot. Bonds10

About 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide

5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 59312928) has the molecular formula C25H25Cl2N9O and a molecular weight of 538.44 g/mol. Its IUPAC name is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID59312928
Molecular FormulaC25H25Cl2N9O
Molecular Weight538.44 g/mol
Exact Mass537.16
IUPAC Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1
InChIInChI=1S/C25H25Cl2N9O/c1-35(2)10-9-30-24(37)21-15-36-23(33-21)12-20(18-5-4-17(26)11-19(18)27)34-25(36)31-8-7-29-22-6-3-16(13-28)14-32-22/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,29,32)(H,30,37)(H,31,34)
InChIKeyJWDCZQUZXIAZES-UHFFFAOYSA-N
XLogP3.79
TPSA123.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide (CID 59312928) is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide is CN(C)CCNC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.
What is the InChIKey of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is JWDCZQUZXIAZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N9O/c1-35(2)10-9-30-24(37)21-15-36-23(33-21)12-20(18-5-4-17(26)11-19(18)27)34-25(36)31-8-7-29-22-6-3-16(13-28)14-32-22/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,29,32)(H,30,37)(H,31,34).
What are the key properties of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide?
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 538.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 59312928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).