(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone

C33H33N5O — CID 164613435

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C33H33N5O/c39-33(37-19-14-29(15-20-37)36-17-2-1-3-18-36)25-8-6-24(7-9-25)28-11-13-32-35-22-31(38(32)23-28)27-10-12-30-26(21-27)5-4-16-34-30/h4-13,16,21-23,29H,1-3,14-15,17-20H2
InChIKeyYGQBAOLJYOQEOU-UHFFFAOYSA-N
MW515.66 g/mol
LogP6.31
Rot. Bonds4

About (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone

(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (PubChem CID 164613435) has the molecular formula C33H33N5O and a molecular weight of 515.66 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
PubChem CID164613435
Molecular FormulaC33H33N5O
Molecular Weight515.66 g/mol
Exact Mass515.27
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C33H33N5O/c39-33(37-19-14-29(15-20-37)36-17-2-1-3-18-36)25-8-6-24(7-9-25)28-11-13-32-35-22-31(38(32)23-28)27-10-12-30-26(21-27)5-4-16-34-30/h4-13,16,21-23,29H,1-3,14-15,17-20H2
InChIKeyYGQBAOLJYOQEOU-UHFFFAOYSA-N
XLogP6.31
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone (CID 164613435) is (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5ncccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
The InChIKey is YGQBAOLJYOQEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O/c39-33(37-19-14-29(15-20-37)36-17-2-1-3-18-36)25-8-6-24(7-9-25)28-11-13-32-35-22-31(38(32)23-28)27-10-12-30-26(21-27)5-4-16-34-30/h4-13,16,21-23,29H,1-3,14-15,17-20H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone?
(4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone has a molecular weight of 515.66 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-[4-(3-quinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone is sourced from PubChem (CID 164613435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).