2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one

C28H28N6O2 — CID 70929521

IUPAC2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
SMILESO=C1c2ccc(Nc3nc4c(-c5ccc(CN6CCOCC6)cc5)cccn4n3)cc2CN1C1CC1
InChIInChI=1S/C28H28N6O2/c35-27-25-10-7-22(16-21(25)18-33(27)23-8-9-23)29-28-30-26-24(2-1-11-34(26)31-28)20-5-3-19(4-6-20)17-32-12-14-36-15-13-32/h1-7,10-11,16,23H,8-9,12-15,17-18H2,(H,29,31)
InChIKeyXGBVQDGMSQWCCE-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.09
Rot. Bonds6

About 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one

2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one (PubChem CID 70929521) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
PubChem CID70929521
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
SMILESO=C1c2ccc(Nc3nc4c(-c5ccc(CN6CCOCC6)cc5)cccn4n3)cc2CN1C1CC1
InChIInChI=1S/C28H28N6O2/c35-27-25-10-7-22(16-21(25)18-33(27)23-8-9-23)29-28-30-26-24(2-1-11-34(26)31-28)20-5-3-19(4-6-20)17-32-12-14-36-15-13-32/h1-7,10-11,16,23H,8-9,12-15,17-18H2,(H,29,31)
InChIKeyXGBVQDGMSQWCCE-UHFFFAOYSA-N
XLogP4.09
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one (CID 70929521) is 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one is O=C1c2ccc(Nc3nc4c(-c5ccc(CN6CCOCC6)cc5)cccn4n3)cc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
The InChIKey is XGBVQDGMSQWCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c35-27-25-10-7-22(16-21(25)18-33(27)23-8-9-23)29-28-30-26-24(2-1-11-34(26)31-28)20-5-3-19(4-6-20)17-32-12-14-36-15-13-32/h1-7,10-11,16,23H,8-9,12-15,17-18H2,(H,29,31).
What are the key properties of 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one?
2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one has a molecular weight of 480.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one is sourced from PubChem (CID 70929521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).