1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile

C23H20F3N5 — CID 19759421

IUPAC1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(C(F)(F)F)cc2C#N)cc1
InChIInChI=1S/C23H20F3N5/c1-3-4-20-29-21-15(2)9-10-28-22(21)31(20)13-16-5-7-18(8-6-16)30-14-17(23(24,25)26)11-19(30)12-27/h5-11,14H,3-4,13H2,1-2H3
InChIKeyYSMSUKJVNZOOMD-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.42
Rot. Bonds5

About 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile

1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile (PubChem CID 19759421) has the molecular formula C23H20F3N5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile
PubChem CID19759421
Molecular FormulaC23H20F3N5
Molecular Weight423.44 g/mol
Exact Mass423.17
IUPAC Name1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(C(F)(F)F)cc2C#N)cc1
InChIInChI=1S/C23H20F3N5/c1-3-4-20-29-21-15(2)9-10-28-22(21)31(20)13-16-5-7-18(8-6-16)30-14-17(23(24,25)26)11-19(30)12-27/h5-11,14H,3-4,13H2,1-2H3
InChIKeyYSMSUKJVNZOOMD-UHFFFAOYSA-N
XLogP5.42
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile
CID 19759536
2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
CID 19759460
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
4-(difluoromethyl)-3-iodo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]pyrrole-2-carbonitrile
CID 67905624
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 19759565
7-methyl-3-[[4-[2-methyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-2-propylimidazo[4,5-b]pyridine;hydrochloride
CID 19759288
7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 131717247
2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165879
2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile
CID 154446585
2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
CID 23156205

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile (CID 19759421) is 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile is CCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(C(F)(F)F)cc2C#N)cc1.
What is the InChIKey of 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile?
The InChIKey is YSMSUKJVNZOOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5/c1-3-4-20-29-21-15(2)9-10-28-22(21)31(20)13-16-5-7-18(8-6-16)30-14-17(23(24,25)26)11-19(30)12-27/h5-11,14H,3-4,13H2,1-2H3.
What are the key properties of 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile?
1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile has a molecular weight of 423.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(trifluoromethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 19759421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).