6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine

C23H21Cl2N7O2 — CID 162111819

IUPAC6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine
SMILESNc1nc(CC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C23H21Cl2N7O2/c24-15-3-5-17(18(25)11-15)19-12-21-27-7-9-31(21)23(29-19)30-8-1-2-14(13-30)10-16-4-6-20(32(33)34)22(26)28-16/h3-7,9,11-12,14H,1-2,8,10,13H2,(H2,26,28)
InChIKeyZGGFGTLXAIRYPF-UHFFFAOYSA-N
MW498.37 g/mol
LogP5.05
Rot. Bonds5

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

6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine (PubChem CID 162111819) has the molecular formula C23H21Cl2N7O2 and a molecular weight of 498.37 g/mol. Its IUPAC name is 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine
PubChem CID162111819
Molecular FormulaC23H21Cl2N7O2
Molecular Weight498.37 g/mol
Exact Mass497.11
IUPAC Name6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine
SMILESNc1nc(CC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C23H21Cl2N7O2/c24-15-3-5-17(18(25)11-15)19-12-21-27-7-9-31(21)23(29-19)30-8-1-2-14(13-30)10-16-4-6-20(32(33)34)22(26)28-16/h3-7,9,11-12,14H,1-2,8,10,13H2,(H2,26,28)
InChIKeyZGGFGTLXAIRYPF-UHFFFAOYSA-N
XLogP5.05
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine (CID 162111819) is 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine is Nc1nc(CC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine?
The InChIKey is ZGGFGTLXAIRYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7O2/c24-15-3-5-17(18(25)11-15)19-12-21-27-7-9-31(21)23(29-19)30-8-1-2-14(13-30)10-16-4-6-20(32(33)34)22(26)28-16/h3-7,9,11-12,14H,1-2,8,10,13H2,(H2,26,28).
What are the key properties of 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine?
6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine has a molecular weight of 498.37 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 162111819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).