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

C22H20Cl2N8O2 — CID 59313042

IUPAC6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C22H20Cl2N8O2/c23-13-3-4-15(16(24)10-13)17-11-20-26-7-9-31(20)22(28-17)30-8-1-2-14(12-30)27-19-6-5-18(32(33)34)21(25)29-19/h3-7,9-11,14H,1-2,8,12H2,(H3,25,27,29)
InChIKeyFNXSAROUEBPANX-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.67
Rot. Bonds5

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

6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine (PubChem CID 59313042) has the molecular formula C22H20Cl2N8O2 and a molecular weight of 499.36 g/mol. Its IUPAC name is 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
PubChem CID59313042
Molecular FormulaC22H20Cl2N8O2
Molecular Weight499.36 g/mol
Exact Mass498.11
IUPAC Name6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C22H20Cl2N8O2/c23-13-3-4-15(16(24)10-13)17-11-20-26-7-9-31(20)22(28-17)30-8-1-2-14(12-30)27-19-6-5-18(32(33)34)21(25)29-19/h3-7,9-11,14H,1-2,8,12H2,(H3,25,27,29)
InChIKeyFNXSAROUEBPANX-UHFFFAOYSA-N
XLogP4.67
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine (CID 59313042) is 6-N-[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 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine is Nc1nc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
The InChIKey is FNXSAROUEBPANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N8O2/c23-13-3-4-15(16(24)10-13)17-11-20-26-7-9-31(20)22(28-17)30-8-1-2-14(12-30)27-19-6-5-18(32(33)34)21(25)29-19/h3-7,9-11,14H,1-2,8,12H2,(H3,25,27,29).
What are the key properties of 6-N-[1-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-yl]-3-nitropyridine-2,6-diamine?
6-N-[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 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[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 59313042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).