2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one

C32H24N6O — CID 59420980

IUPAC2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2CN1Cc1ccccn1
InChIInChI=1S/C32H24N6O/c39-30-27-8-6-21(14-23(27)18-37(30)20-26-5-1-2-12-33-26)24-16-35-31-36-17-29(38(31)19-24)32(10-11-32)25-7-9-28-22(15-25)4-3-13-34-28/h1-9,12-17,19H,10-11,18,20H2
InChIKeyNCZRICHJBYLMOL-UHFFFAOYSA-N
MW508.59 g/mol
LogP5.58
Rot. Bonds5

About 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one

2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one (PubChem CID 59420980) has the molecular formula C32H24N6O and a molecular weight of 508.59 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one
PubChem CID59420980
Molecular FormulaC32H24N6O
Molecular Weight508.59 g/mol
Exact Mass508.20
IUPAC Name2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2CN1Cc1ccccn1
InChIInChI=1S/C32H24N6O/c39-30-27-8-6-21(14-23(27)18-37(30)20-26-5-1-2-12-33-26)24-16-35-31-36-17-29(38(31)19-24)32(10-11-32)25-7-9-28-22(15-25)4-3-13-34-28/h1-9,12-17,19H,10-11,18,20H2
InChIKeyNCZRICHJBYLMOL-UHFFFAOYSA-N
XLogP5.58
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.59
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one (CID 59420980) is 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one is O=C1c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2CN1Cc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
The InChIKey is NCZRICHJBYLMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O/c39-30-27-8-6-21(14-23(27)18-37(30)20-26-5-1-2-12-33-26)24-16-35-31-36-17-29(38(31)19-24)32(10-11-32)25-7-9-28-22(15-25)4-3-13-34-28/h1-9,12-17,19H,10-11,18,20H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one has a molecular weight of 508.59 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one is sourced from PubChem (CID 59420980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).