2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine

C27H22FN7OS — CID 136944447

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C27H22FN7OS/c28-23-7-6-22(37-23)26-25-19(8-9-30-26)32-27(33-25)24-18-11-20(31-14-21(18)34-35-24)15-10-17(13-29-12-15)36-16-4-2-1-3-5-16/h6-14,16H,1-5H2,(H,32,33)(H,34,35)
InChIKeyIARQTFKFVKSCCC-UHFFFAOYSA-N
MW511.59 g/mol
LogP6.54
Rot. Bonds5

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136944447) has the molecular formula C27H22FN7OS and a molecular weight of 511.59 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136944447
Molecular FormulaC27H22FN7OS
Molecular Weight511.59 g/mol
Exact Mass511.16
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C27H22FN7OS/c28-23-7-6-22(37-23)26-25-19(8-9-30-26)32-27(33-25)24-18-11-20(31-14-21(18)34-35-24)15-10-17(13-29-12-15)36-16-4-2-1-3-5-16/h6-14,16H,1-5H2,(H,32,33)(H,34,35)
InChIKeyIARQTFKFVKSCCC-UHFFFAOYSA-N
XLogP6.54
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine (CID 136944447) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)s1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is IARQTFKFVKSCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7OS/c28-23-7-6-22(37-23)26-25-19(8-9-30-26)32-27(33-25)24-18-11-20(31-14-21(18)34-35-24)15-10-17(13-29-12-15)36-16-4-2-1-3-5-16/h6-14,16H,1-5H2,(H,32,33)(H,34,35).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 511.59 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136944447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).