6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine

C27H25FN4OS — CID 151975586

IUPAC6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine
SMILESCn1c(CCCOCc2ccccc2)nc2c(N)nc(-c3ccc(-c4cccc(F)c4)s3)cc21
InChIInChI=1S/C27H25FN4OS/c1-32-22-16-21(24-13-12-23(34-24)19-9-5-10-20(28)15-19)30-27(29)26(22)31-25(32)11-6-14-33-17-18-7-3-2-4-8-18/h2-5,7-10,12-13,15-16H,6,11,14,17H2,1H3,(H2,29,30)
InChIKeyUBPCFLPLLAWRQK-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.23
Rot. Bonds8

About 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine

6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 151975586) has the molecular formula C27H25FN4OS and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID151975586
Molecular FormulaC27H25FN4OS
Molecular Weight472.59 g/mol
Exact Mass472.17
IUPAC Name6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine
SMILESCn1c(CCCOCc2ccccc2)nc2c(N)nc(-c3ccc(-c4cccc(F)c4)s3)cc21
InChIInChI=1S/C27H25FN4OS/c1-32-22-16-21(24-13-12-23(34-24)19-9-5-10-20(28)15-19)30-27(29)26(22)31-25(32)11-6-14-33-17-18-7-3-2-4-8-18/h2-5,7-10,12-13,15-16H,6,11,14,17H2,1H3,(H2,29,30)
InChIKeyUBPCFLPLLAWRQK-UHFFFAOYSA-N
XLogP6.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine (CID 151975586) is 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine is Cn1c(CCCOCc2ccccc2)nc2c(N)nc(-c3ccc(-c4cccc(F)c4)s3)cc21.
What is the InChIKey of 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is UBPCFLPLLAWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4OS/c1-32-22-16-21(24-13-12-23(34-24)19-9-5-10-20(28)15-19)30-27(29)26(22)31-25(32)11-6-14-33-17-18-7-3-2-4-8-18/h2-5,7-10,12-13,15-16H,6,11,14,17H2,1H3,(H2,29,30).
What are the key properties of 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine?
6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 472.59 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-fluorophenyl)thiophen-2-yl]-1-methyl-2-(3-phenylmethoxypropyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 151975586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).