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

C25H26FN5O2 — CID 53379023

IUPAC4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CC3CCOCC3)ccc2n1
InChIInChI=1S/C25H26FN5O2/c26-19-2-4-20-18(5-8-27-20)22(19)24-29-21-3-1-17(15-16-6-11-32-12-7-16)28-23(21)25(30-24)31-9-13-33-14-10-31/h1-5,8,16,27H,6-7,9-15H2
InChIKeyDYIMXGADUFIZBA-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.12
Rot. Bonds4

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

4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 53379023) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID53379023
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CC3CCOCC3)ccc2n1
InChIInChI=1S/C25H26FN5O2/c26-19-2-4-20-18(5-8-27-20)22(19)24-29-21-3-1-17(15-16-6-11-32-12-7-16)28-23(21)25(30-24)31-9-13-33-14-10-31/h1-5,8,16,27H,6-7,9-15H2
InChIKeyDYIMXGADUFIZBA-UHFFFAOYSA-N
XLogP4.12
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperidin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 58404994
2-[4-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 53378374
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 67344880
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 58234947
4-[5-(5-fluoro-1H-indol-4-yl)-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 25127688
2-[[1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-3-yl]-methylamino]-2-methylpropanamide
CID 25264399
8-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 25265242
2-[4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2,2-dimethylpiperazin-1-yl]acetamide
CID 25265096
3-[4-[[2-(5-fluoro-1H-indol-4-yl)-9-(2-hydroxyethyl)-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 25264532
4-(5-fluoro-1H-indol-4-yl)-6-(4-methylsulfonyloxan-4-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 86268387

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 53379023) is 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-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-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CC3CCOCC3)ccc2n1.
What is the InChIKey of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is DYIMXGADUFIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-19-2-4-20-18(5-8-27-20)22(19)24-29-21-3-1-17(15-16-6-11-32-12-7-16)28-23(21)25(30-24)31-9-13-33-14-10-31/h1-5,8,16,27H,6-7,9-15H2.
What are the key properties of 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 447.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 53379023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).