4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C27H23N7O2 — CID 136936913

IUPAC4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H23N7O2/c1-2-22-21(12-16(1)18-11-20(14-29-13-18)36-19-3-7-28-8-4-19)25(34-33-22)27-31-23-5-9-30-24(26(23)32-27)17-6-10-35-15-17/h1-2,5-6,9-15,19,28H,3-4,7-8H2,(H,31,32)(H,33,34)
InChIKeyUEDSVOJNJISAEF-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.95
Rot. Bonds5

About 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936913) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936913
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H23N7O2/c1-2-22-21(12-16(1)18-11-20(14-29-13-18)36-19-3-7-28-8-4-19)25(34-33-22)27-31-23-5-9-30-24(26(23)32-27)17-6-10-35-15-17/h1-2,5-6,9-15,19,28H,3-4,7-8H2,(H,31,32)(H,33,34)
InChIKeyUEDSVOJNJISAEF-UHFFFAOYSA-N
XLogP4.95
TPSA117.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936913) is 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(-c2ccoc2)n1.
What is the InChIKey of 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is UEDSVOJNJISAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-2-22-21(12-16(1)18-11-20(14-29-13-18)36-19-3-7-28-8-4-19)25(34-33-22)27-31-23-5-9-30-24(26(23)32-27)17-6-10-35-15-17/h1-2,5-6,9-15,19,28H,3-4,7-8H2,(H,31,32)(H,33,34).
What are the key properties of 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 477.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).