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

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Related Compounds

PI-3065
CID 24937012
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
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8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378051
2-(1-{[2-(2h-Indazol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378156
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454

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).