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

C33H33N5O — CID 164612461

IUPAC[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C33H33N5O/c39-33(37-18-13-30(14-19-37)36-16-2-1-3-17-36)25-6-4-24(5-7-25)29-10-11-32-35-22-31(38(32)23-29)27-8-9-28-21-34-15-12-26(28)20-27/h4-12,15,20-23,30H,1-3,13-14,16-19H2
InChIKeyRWDCJKPJKMBFCI-UHFFFAOYSA-N
MW515.66 g/mol
LogP6.31
Rot. Bonds4

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

[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 164612461) has the molecular formula C33H33N5O and a molecular weight of 515.66 g/mol. Its IUPAC name is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID164612461
Molecular FormulaC33H33N5O
Molecular Weight515.66 g/mol
Exact Mass515.27
IUPAC Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C33H33N5O/c39-33(37-18-13-30(14-19-37)36-16-2-1-3-17-36)25-6-4-24(5-7-25)29-10-11-32-35-22-31(38(32)23-29)27-8-9-28-21-34-15-12-26(28)20-27/h4-12,15,20-23,30H,1-3,13-14,16-19H2
InChIKeyRWDCJKPJKMBFCI-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-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 164612461) is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is RWDCJKPJKMBFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O/c39-33(37-18-13-30(14-19-37)36-16-2-1-3-17-36)25-6-4-24(5-7-25)29-10-11-32-35-22-31(38(32)23-29)27-8-9-28-21-34-15-12-26(28)20-27/h4-12,15,20-23,30H,1-3,13-14,16-19H2.
What are the key properties of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)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-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 164612461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).