5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile

C18H12Cl2N6 — CID 67314001

IUPAC5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1NCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H12Cl2N6/c19-13-3-1-11(2-4-13)17-15(9-22-18-12(7-21)8-23-25-18)26-10-14(20)5-6-16(26)24-17/h1-6,8,10H,9H2,(H2,22,23,25)
InChIKeyMFINNZITZAVIOF-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.51
Rot. Bonds4

About 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile

5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile (PubChem CID 67314001) has the molecular formula C18H12Cl2N6 and a molecular weight of 383.24 g/mol. Its IUPAC name is 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile
PubChem CID67314001
Molecular FormulaC18H12Cl2N6
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1NCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H12Cl2N6/c19-13-3-1-11(2-4-13)17-15(9-22-18-12(7-21)8-23-25-18)26-10-14(20)5-6-16(26)24-17/h1-6,8,10H,9H2,(H2,22,23,25)
InChIKeyMFINNZITZAVIOF-UHFFFAOYSA-N
XLogP4.51
TPSA81.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile (CID 67314001) is 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1NCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile?
The InChIKey is MFINNZITZAVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6/c19-13-3-1-11(2-4-13)17-15(9-22-18-12(7-21)8-23-25-18)26-10-14(20)5-6-16(26)24-17/h1-6,8,10H,9H2,(H2,22,23,25).
What are the key properties of 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile?
5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile has a molecular weight of 383.24 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 67314001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).