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

C27H23N7O2 — CID 136944411

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H23N7O2/c1-2-4-18(5-3-1)36-19-10-17(12-28-13-19)22-11-20-23(14-30-22)33-34-25(20)27-31-21-6-8-29-24(26(21)32-27)16-7-9-35-15-16/h6-15,18H,1-5H2,(H,31,32)(H,33,34)
InChIKeyDGMLPKXLJSWYBL-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.93
Rot. Bonds5

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136944411) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-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-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136944411
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H23N7O2/c1-2-4-18(5-3-1)36-19-10-17(12-28-13-19)22-11-20-23(14-30-22)33-34-25(20)27-31-21-6-8-29-24(26(21)32-27)16-7-9-35-15-16/h6-15,18H,1-5H2,(H,31,32)(H,33,34)
InChIKeyDGMLPKXLJSWYBL-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

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

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Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225589
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226079
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226136

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-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-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136944411) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-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-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is c1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is DGMLPKXLJSWYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-2-4-18(5-3-1)36-19-10-17(12-28-13-19)22-11-20-23(14-30-22)33-34-25(20)27-31-21-6-8-29-24(26(21)32-27)16-7-9-35-15-16/h6-15,18H,1-5H2,(H,31,32)(H,33,34).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136944411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).