4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine

C22H20Cl2N8O2 — CID 68714912

IUPAC4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
SMILESNc1cc(C2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)c([N+](=O)[O-])c(N)n1
InChIInChI=1S/C22H20Cl2N8O2/c23-13-3-4-14(16(24)8-13)17-10-19-27-5-7-31(19)22(28-17)30-6-1-2-12(11-30)15-9-18(25)29-21(26)20(15)32(33)34/h3-5,7-10,12H,1-2,6,11H2,(H4,25,26,29)
InChIKeyWBGRWUQGQAPNKP-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.55
Rot. Bonds4

About 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine

4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine (PubChem CID 68714912) has the molecular formula C22H20Cl2N8O2 and a molecular weight of 499.36 g/mol. Its IUPAC name is 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
PubChem CID68714912
Molecular FormulaC22H20Cl2N8O2
Molecular Weight499.36 g/mol
Exact Mass498.11
IUPAC Name4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
SMILESNc1cc(C2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)c([N+](=O)[O-])c(N)n1
InChIInChI=1S/C22H20Cl2N8O2/c23-13-3-4-14(16(24)8-13)17-10-19-27-5-7-31(19)22(28-17)30-6-1-2-12(11-30)15-9-18(25)29-21(26)20(15)32(33)34/h3-5,7-10,12H,1-2,6,11H2,(H4,25,26,29)
InChIKeyWBGRWUQGQAPNKP-UHFFFAOYSA-N
XLogP4.55
TPSA141.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine (CID 68714912) is 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine is Nc1cc(C2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)c([N+](=O)[O-])c(N)n1.
What is the InChIKey of 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
The InChIKey is WBGRWUQGQAPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N8O2/c23-13-3-4-14(16(24)8-13)17-10-19-27-5-7-31(19)22(28-17)30-6-1-2-12(11-30)15-9-18(25)29-21(26)20(15)32(33)34/h3-5,7-10,12H,1-2,6,11H2,(H4,25,26,29).
What are the key properties of 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine has a molecular weight of 499.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 68714912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).