N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine

C20H17ClFN7O2 — CID 148789102

IUPACN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESNc1nc(CCCNc2nc(-c3ccc(F)c(Cl)c3)cc3nccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H17ClFN7O2/c21-14-10-12(3-5-15(14)22)16-11-18-24-8-9-28(18)20(27-16)25-7-1-2-13-4-6-17(29(30)31)19(23)26-13/h3-6,8-11H,1-2,7H2,(H2,23,26)(H,25,27)
InChIKeyOLUNFKWJHHWIBJ-UHFFFAOYSA-N
MW441.85 g/mol
LogP4.12
Rot. Bonds7

About N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine

N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 148789102) has the molecular formula C20H17ClFN7O2 and a molecular weight of 441.85 g/mol. Its IUPAC name is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID148789102
Molecular FormulaC20H17ClFN7O2
Molecular Weight441.85 g/mol
Exact Mass441.11
IUPAC NameN-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESNc1nc(CCCNc2nc(-c3ccc(F)c(Cl)c3)cc3nccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H17ClFN7O2/c21-14-10-12(3-5-15(14)22)16-11-18-24-8-9-28(18)20(27-16)25-7-1-2-13-4-6-17(29(30)31)19(23)26-13/h3-6,8-11H,1-2,7H2,(H2,23,26)(H,25,27)
InChIKeyOLUNFKWJHHWIBJ-UHFFFAOYSA-N
XLogP4.12
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N2-(2-((4-(2,4-Dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine
CID 9957049
Bms-279700
CID 9844320
Chir-98023
CID 9847557
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 53396311
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
Imidazo[1,2-a]pyridine deriv. 1g
CID 6539023
N-(2-chloro-6-methylphenyl)-12-(4-methylpiperazin-1-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9866128
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
7-N-(2-chloro-6-methylphenyl)-12-N,12-N-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 11175620
6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1-methylimidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 22142505

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 148789102) is N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine is Nc1nc(CCCNc2nc(-c3ccc(F)c(Cl)c3)cc3nccn23)ccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is OLUNFKWJHHWIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN7O2/c21-14-10-12(3-5-15(14)22)16-11-18-24-8-9-28(18)20(27-16)25-7-1-2-13-4-6-17(29(30)31)19(23)26-13/h3-6,8-11H,1-2,7H2,(H2,23,26)(H,25,27).
What are the key properties of N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine?
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 441.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 148789102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).