N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine

C18H16ClFN6 — CID 44583632

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3cncn3)cn2c1C
InChIInChI=1S/C18H16ClFN6/c1-11-12(2)25-8-15(26-10-21-9-23-26)6-17(18(25)24-11)22-7-13-3-4-14(20)5-16(13)19/h3-6,8-10,22H,7H2,1-2H3
InChIKeyJMWWMMLEAUJIFI-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine

N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 44583632) has the molecular formula C18H16ClFN6 and a molecular weight of 370.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID44583632
Molecular FormulaC18H16ClFN6
Molecular Weight370.82 g/mol
Exact Mass370.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3cncn3)cn2c1C
InChIInChI=1S/C18H16ClFN6/c1-11-12(2)25-8-15(26-10-21-9-23-26)6-17(18(25)24-11)22-7-13-3-4-14(20)5-16(13)19/h3-6,8-10,22H,7H2,1-2H3
InChIKeyJMWWMMLEAUJIFI-UHFFFAOYSA-N
XLogP3.94
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine (CID 44583632) is N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine is Cc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3cncn3)cn2c1C.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is JMWWMMLEAUJIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN6/c1-11-12(2)25-8-15(26-10-21-9-23-26)6-17(18(25)24-11)22-7-13-3-4-14(20)5-16(13)19/h3-6,8-10,22H,7H2,1-2H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 370.82 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 44583632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).