2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C21H26N4O — CID 126951577

IUPAC2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1cc(OC2CCN(Cc3cc4n(n3)CCCC4)CC2)c2cc[nH]c2c1
InChIInChI=1S/C21H26N4O/c1-2-11-25-17(4-1)14-16(23-25)15-24-12-8-18(9-13-24)26-21-6-3-5-20-19(21)7-10-22-20/h3,5-7,10,14,18,22H,1-2,4,8-9,11-13,15H2
InChIKeyCIBUGYOASKHUFW-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.74
Rot. Bonds4

About 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 126951577) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID126951577
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1cc(OC2CCN(Cc3cc4n(n3)CCCC4)CC2)c2cc[nH]c2c1
InChIInChI=1S/C21H26N4O/c1-2-11-25-17(4-1)14-16(23-25)15-24-12-8-18(9-13-24)26-21-6-3-5-20-19(21)7-10-22-20/h3,5-7,10,14,18,22H,1-2,4,8-9,11-13,15H2
InChIKeyCIBUGYOASKHUFW-UHFFFAOYSA-N
XLogP3.74
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 126951577) is 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is c1cc(OC2CCN(Cc3cc4n(n3)CCCC4)CC2)c2cc[nH]c2c1.
What is the InChIKey of 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is CIBUGYOASKHUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-11-25-17(4-1)14-16(23-25)15-24-12-8-18(9-13-24)26-21-6-3-5-20-19(21)7-10-22-20/h3,5-7,10,14,18,22H,1-2,4,8-9,11-13,15H2.
What are the key properties of 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 350.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 126951577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).