2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile

C24H18ClFN8O — CID 157068975

IUPAC2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C24H18ClFN8O/c25-18-5-6-32-13-28-19(23(32)22(18)26)3-4-21(35)20-12-34(31-30-20)11-17-10-33-9-16(14-1-2-14)7-15(8-27)24(33)29-17/h5-7,9-10,12-14H,1-4,11H2
InChIKeyKSWMDFOZAUKIHL-UHFFFAOYSA-N
MW488.91 g/mol
LogP3.98
Rot. Bonds7

About 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile

2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 157068975) has the molecular formula C24H18ClFN8O and a molecular weight of 488.91 g/mol. Its IUPAC name is 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID157068975
Molecular FormulaC24H18ClFN8O
Molecular Weight488.91 g/mol
Exact Mass488.13
IUPAC Name2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C24H18ClFN8O/c25-18-5-6-32-13-28-19(23(32)22(18)26)3-4-21(35)20-12-34(31-30-20)11-17-10-33-9-16(14-1-2-14)7-15(8-27)24(33)29-17/h5-7,9-10,12-14H,1-4,11H2
InChIKeyKSWMDFOZAUKIHL-UHFFFAOYSA-N
XLogP3.98
TPSA106.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxamide
CID 139487324
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487399
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487409
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487440
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(difluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487442
Ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate
CID 139487520
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487642
Methyl 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylate
CID 139487653
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide
CID 139487661
3-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoic acid
CID 139487663
1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
CID 139487674
2-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
CID 139487706

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile (CID 157068975) is 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is KSWMDFOZAUKIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN8O/c25-18-5-6-32-13-28-19(23(32)22(18)26)3-4-21(35)20-12-34(31-30-20)11-17-10-33-9-16(14-1-2-14)7-15(8-27)24(33)29-17/h5-7,9-10,12-14H,1-4,11H2.
What are the key properties of 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile?
2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 488.91 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 157068975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).