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

C27H23N7O2 — CID 136945667

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H23N7O2/c1-2-4-19(5-3-1)36-20-10-17(12-28-14-20)18-11-21-24(33-34-26(21)30-13-18)27-31-22-6-8-29-23(25(22)32-27)16-7-9-35-15-16/h6-15,19H,1-5H2,(H,31,32)(H,30,33,34)
InChIKeyHKXBMFLLKBNZOH-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.93
Rot. Bonds5

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136945667) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136945667
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H23N7O2/c1-2-4-19(5-3-1)36-20-10-17(12-28-14-20)18-11-21-24(33-34-26(21)30-13-18)27-31-22-6-8-29-23(25(22)32-27)16-7-9-35-15-16/h6-15,19H,1-5H2,(H,31,32)(H,30,33,34)
InChIKeyHKXBMFLLKBNZOH-UHFFFAOYSA-N
XLogP5.93
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136945667) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is c1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is HKXBMFLLKBNZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-2-4-19(5-3-1)36-20-10-17(12-28-14-20)18-11-21-24(33-34-26(21)30-13-18)27-31-22-6-8-29-23(25(22)32-27)16-7-9-35-15-16/h6-15,19H,1-5H2,(H,31,32)(H,30,33,34).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 477.53 g/mol, XLogP of 5.93, 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)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136945667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).