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

C32H31N5O2 — CID 164625535

IUPAC[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C32H31N5O2/c38-32(36-13-10-29(11-14-36)35-15-17-39-18-16-35)24-3-1-23(2-4-24)28-7-8-31-34-21-30(37(31)22-28)26-5-6-27-20-33-12-9-25(27)19-26/h1-9,12,19-22,29H,10-11,13-18H2
InChIKeyCIWGILRASQNZHL-UHFFFAOYSA-N
MW517.63 g/mol
LogP5.15
Rot. Bonds4

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

[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 164625535) has the molecular formula C32H31N5O2 and a molecular weight of 517.63 g/mol. Its IUPAC name is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID164625535
Molecular FormulaC32H31N5O2
Molecular Weight517.63 g/mol
Exact Mass517.25
IUPAC Name[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C32H31N5O2/c38-32(36-13-10-29(11-14-36)35-15-17-39-18-16-35)24-3-1-23(2-4-24)28-7-8-31-34-21-30(37(31)22-28)26-5-6-27-20-33-12-9-25(27)19-26/h1-9,12,19-22,29H,10-11,13-18H2
InChIKeyCIWGILRASQNZHL-UHFFFAOYSA-N
XLogP5.15
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 164625535) is [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5cnccc5c4)n3c2)cc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is CIWGILRASQNZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O2/c38-32(36-13-10-29(11-14-36)35-15-17-39-18-16-35)24-3-1-23(2-4-24)28-7-8-31-34-21-30(37(31)22-28)26-5-6-27-20-33-12-9-25(27)19-26/h1-9,12,19-22,29H,10-11,13-18H2.
What are the key properties of [4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 517.63 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 164625535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).