piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone

C32H33N7O3 — CID 164830099

IUPACpiperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cc4ccccn4n3)ccc2n1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C32H33N7O3/c40-31(36-13-3-1-4-14-36)28-21-30(32(41)37-17-10-24(11-18-37)38-16-6-12-33-38)34-29-9-8-26(20-27(28)29)42-22-23-19-25-7-2-5-15-39(25)35-23/h2,5-9,12,15-16,19-21,24H,1,3-4,10-11,13-14,17-18,22H2
InChIKeyLQOSQWDFZOTBMB-UHFFFAOYSA-N
MW563.66 g/mol
LogP4.76
Rot. Bonds6

About piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone

piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone (PubChem CID 164830099) has the molecular formula C32H33N7O3 and a molecular weight of 563.66 g/mol. Its IUPAC name is piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone
PubChem CID164830099
Molecular FormulaC32H33N7O3
Molecular Weight563.66 g/mol
Exact Mass563.26
IUPAC Namepiperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cc4ccccn4n3)ccc2n1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C32H33N7O3/c40-31(36-13-3-1-4-14-36)28-21-30(32(41)37-17-10-24(11-18-37)38-16-6-12-33-38)34-29-9-8-26(20-27(28)29)42-22-23-19-25-7-2-5-15-39(25)35-23/h2,5-9,12,15-16,19-21,24H,1,3-4,10-11,13-14,17-18,22H2
InChIKeyLQOSQWDFZOTBMB-UHFFFAOYSA-N
XLogP4.76
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.66
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone (CID 164830099) is piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone is O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3cc4ccccn4n3)ccc2n1)N1CCC(n2cccn2)CC1.
What is the InChIKey of piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone?
The InChIKey is LQOSQWDFZOTBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O3/c40-31(36-13-3-1-4-14-36)28-21-30(32(41)37-17-10-24(11-18-37)38-16-6-12-33-38)34-29-9-8-26(20-27(28)29)42-22-23-19-25-7-2-5-15-39(25)35-23/h2,5-9,12,15-16,19-21,24H,1,3-4,10-11,13-14,17-18,22H2.
What are the key properties of piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone?
piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone has a molecular weight of 563.66 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone is sourced from PubChem (CID 164830099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).