4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine

C28H31FN6O3 — CID 141446340

IUPAC4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
SMILESFc1cc(OCCN2CCOCC2)ccc1-c1nccc2c1N(c1ccc(N3CCOCC3)nc1)CN=C2
InChIInChI=1S/C28H31FN6O3/c29-25-17-23(38-16-9-33-7-12-36-13-8-33)2-3-24(25)27-28-21(5-6-31-27)18-30-20-35(28)22-1-4-26(32-19-22)34-10-14-37-15-11-34/h1-6,17-19H,7-16,20H2
InChIKeyJCPCWJRXOREQFF-UHFFFAOYSA-N
MW518.59 g/mol
LogP3.36
Rot. Bonds7

About 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine

4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine (PubChem CID 141446340) has the molecular formula C28H31FN6O3 and a molecular weight of 518.59 g/mol. Its IUPAC name is 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
PubChem CID141446340
Molecular FormulaC28H31FN6O3
Molecular Weight518.59 g/mol
Exact Mass518.24
IUPAC Name4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine
SMILESFc1cc(OCCN2CCOCC2)ccc1-c1nccc2c1N(c1ccc(N3CCOCC3)nc1)CN=C2
InChIInChI=1S/C28H31FN6O3/c29-25-17-23(38-16-9-33-7-12-36-13-8-33)2-3-24(25)27-28-21(5-6-31-27)18-30-20-35(28)22-1-4-26(32-19-22)34-10-14-37-15-11-34/h1-6,17-19H,7-16,20H2
InChIKeyJCPCWJRXOREQFF-UHFFFAOYSA-N
XLogP3.36
TPSA75.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

Inixaciclib
CID 139390026
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464945
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466120

Frequently Asked Questions

What is the IUPAC name of 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine (CID 141446340) is 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine is Fc1cc(OCCN2CCOCC2)ccc1-c1nccc2c1N(c1ccc(N3CCOCC3)nc1)CN=C2.
What is the InChIKey of 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
The InChIKey is JCPCWJRXOREQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3/c29-25-17-23(38-16-9-33-7-12-36-13-8-33)2-3-24(25)27-28-21(5-6-31-27)18-30-20-35(28)22-1-4-26(32-19-22)34-10-14-37-15-11-34/h1-6,17-19H,7-16,20H2.
What are the key properties of 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine?
4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine has a molecular weight of 518.59 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[8-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2H-pyrido[3,4-d]pyrimidin-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 141446340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).