5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide

C26H26Cl2N8O — CID 59313163

IUPAC5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCC(CC)NC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1
InChIInChI=1S/C26H26Cl2N8O/c1-3-18(4-2)33-25(37)22-15-36-24(34-22)12-21(19-7-6-17(27)11-20(19)28)35-26(36)31-10-9-30-23-8-5-16(13-29)14-32-23/h5-8,11-12,14-15,18H,3-4,9-10H2,1-2H3,(H,30,32)(H,31,35)(H,33,37)
InChIKeyDLOVQEAAPMGSBE-UHFFFAOYSA-N
MW537.46 g/mol
LogP5.41
Rot. Bonds10

About 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide

5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 59313163) has the molecular formula C26H26Cl2N8O and a molecular weight of 537.46 g/mol. Its IUPAC name is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID59313163
Molecular FormulaC26H26Cl2N8O
Molecular Weight537.46 g/mol
Exact Mass536.16
IUPAC Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCC(CC)NC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1
InChIInChI=1S/C26H26Cl2N8O/c1-3-18(4-2)33-25(37)22-15-36-24(34-22)12-21(19-7-6-17(27)11-20(19)28)35-26(36)31-10-9-30-23-8-5-16(13-29)14-32-23/h5-8,11-12,14-15,18H,3-4,9-10H2,1-2H3,(H,30,32)(H,31,35)(H,33,37)
InChIKeyDLOVQEAAPMGSBE-UHFFFAOYSA-N
XLogP5.41
TPSA120.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.46
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 59313163) is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide is CCC(CC)NC(=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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is DLOVQEAAPMGSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N8O/c1-3-18(4-2)33-25(37)22-15-36-24(34-22)12-21(19-7-6-17(27)11-20(19)28)35-26(36)31-10-9-30-23-8-5-16(13-29)14-32-23/h5-8,11-12,14-15,18H,3-4,9-10H2,1-2H3,(H,30,32)(H,31,35)(H,33,37).
What are the key properties of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide?
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 537.46 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 8 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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 59313163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).