1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine

C26H18FN5S — CID 25032215

IUPAC1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-n2cc(-c3ccc(F)s3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1
InChIInChI=1S/C26H18FN5S/c1-17-4-7-21(15-29-17)32-16-22(23-10-11-24(27)33-23)30-26(32)19-5-8-20(9-6-19)31-14-12-18-3-2-13-28-25(18)31/h2-16H,1H3
InChIKeyFQDGJNJVDSHIAK-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.45
Rot. Bonds4

About 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine

1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 25032215) has the molecular formula C26H18FN5S and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
PubChem CID25032215
Molecular FormulaC26H18FN5S
Molecular Weight451.53 g/mol
Exact Mass451.13
IUPAC Name1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-n2cc(-c3ccc(F)s3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1
InChIInChI=1S/C26H18FN5S/c1-17-4-7-21(15-29-17)32-16-22(23-10-11-24(27)33-23)30-26(32)19-5-8-20(9-6-19)31-14-12-18-3-2-13-28-25(18)31/h2-16H,1H3
InChIKeyFQDGJNJVDSHIAK-UHFFFAOYSA-N
XLogP6.45
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine (CID 25032215) is 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine is Cc1ccc(-n2cc(-c3ccc(F)s3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1.
What is the InChIKey of 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is FQDGJNJVDSHIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5S/c1-17-4-7-21(15-29-17)32-16-22(23-10-11-24(27)33-23)30-26(32)19-5-8-20(9-6-19)31-14-12-18-3-2-13-28-25(18)31/h2-16H,1H3.
What are the key properties of 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 451.53 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-fluorothiophen-2-yl)-1-(6-methyl-3-pyridinyl)imidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25032215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).