4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C24H25FN6O2 — CID 53378900

IUPAC4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCOCC3)ccc2n1
InChIInChI=1S/C24H25FN6O2/c25-18-2-4-19-17(5-6-26-19)21(18)23-28-20-3-1-16(15-30-7-11-32-12-8-30)27-22(20)24(29-23)31-9-13-33-14-10-31/h1-6,26H,7-15H2
InChIKeyWWKWKMNWCVHWGF-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.98
Rot. Bonds4

About 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 53378900) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID53378900
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCOCC3)ccc2n1
InChIInChI=1S/C24H25FN6O2/c25-18-2-4-19-17(5-6-26-19)21(18)23-28-20-3-1-16(15-30-7-11-32-12-8-30)27-22(20)24(29-23)31-9-13-33-14-10-31/h1-6,26H,7-15H2
InChIKeyWWKWKMNWCVHWGF-UHFFFAOYSA-N
XLogP2.98
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine 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 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 53378900) is 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCOCC3)ccc2n1.
What is the InChIKey of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is WWKWKMNWCVHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c25-18-2-4-19-17(5-6-26-19)21(18)23-28-20-3-1-16(15-30-7-11-32-12-8-30)27-22(20)24(29-23)31-9-13-33-14-10-31/h1-6,26H,7-15H2.
What are the key properties of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 448.50 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-1H-indol-4-yl)-6-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 53378900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).