4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine

C20H23N5O — CID 67182390

IUPAC4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1nc(-c2ccc3[nH]ccc3c2)nc2c1CCNC2
InChIInChI=1S/C20H23N5O/c1-13-12-26-9-8-25(13)20-16-5-6-21-11-18(16)23-19(24-20)15-2-3-17-14(10-15)4-7-22-17/h2-4,7,10,13,21-22H,5-6,8-9,11-12H2,1H3
InChIKeyVFNQMIZKDGLNEO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.50
Rot. Bonds2

About 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine

4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 67182390) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID67182390
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCC1COCCN1c1nc(-c2ccc3[nH]ccc3c2)nc2c1CCNC2
InChIInChI=1S/C20H23N5O/c1-13-12-26-9-8-25(13)20-16-5-6-21-11-18(16)23-19(24-20)15-2-3-17-14(10-15)4-7-22-17/h2-4,7,10,13,21-22H,5-6,8-9,11-12H2,1H3
InChIKeyVFNQMIZKDGLNEO-UHFFFAOYSA-N
XLogP2.50
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-N-oxidoaniline
CID 140586056
1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 44816976
(3S)-4-[7-(1H-indol-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441883
6-butoxy-N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]pyridin-2-amine
CID 67478290
[ethyl-[[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]carbamoyl]amino] 2,2,2-trifluoroacetate
CID 87107868
4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 67506451
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 158752884
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(2-methylsulfonylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;methane;1-methylsulfonylethene
CID 159670925
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835
6-[4-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one;N-[4-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
CID 158229217
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine (CID 67182390) is 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine is CC1COCCN1c1nc(-c2ccc3[nH]ccc3c2)nc2c1CCNC2.
What is the InChIKey of 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is VFNQMIZKDGLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-12-26-9-8-25(13)20-16-5-6-21-11-18(16)23-19(24-20)15-2-3-17-14(10-15)4-7-22-17/h2-4,7,10,13,21-22H,5-6,8-9,11-12H2,1H3.
What are the key properties of 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine?
4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 349.44 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 67182390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).