(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

C31H35FN6O2 — CID 118869378

IUPAC(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C31H35FN6O2/c1-21-20-39-17-15-37(21)28-19-25(23-8-7-22(18-26(23)32)36-13-3-4-14-36)24-9-11-33-31(30(24)35-28)27-10-12-34-38(27)29-6-2-5-16-40-29/h7-12,18-19,21,29H,2-6,13-17,20H2,1H3/t21-,29?/m1/s1
InChIKeyIXMOFWFSXPLIMZ-QYWNIODHSA-N
MW542.66 g/mol
LogP5.82
Rot. Bonds5

About (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869378) has the molecular formula C31H35FN6O2 and a molecular weight of 542.66 g/mol. Its IUPAC name is (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869378
Molecular FormulaC31H35FN6O2
Molecular Weight542.66 g/mol
Exact Mass542.28
IUPAC Name(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C31H35FN6O2/c1-21-20-39-17-15-37(21)28-19-25(23-8-7-22(18-26(23)32)36-13-3-4-14-36)24-9-11-33-31(30(24)35-28)27-10-12-34-38(27)29-6-2-5-16-40-29/h7-12,18-19,21,29H,2-6,13-17,20H2,1H3/t21-,29?/m1/s1
InChIKeyIXMOFWFSXPLIMZ-QYWNIODHSA-N
XLogP5.82
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine with MolForge

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Related Compounds

Elimusertib
CID 118869362
US10023576, Example 63
CID 130362847
4-[2-Methyl-3-[1-(quinolin-2-ylmethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139236
(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869550
CID 118869552
CID 118869552
(3R)-4-[4-(2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 122585589
4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582766
US9725449, Example 237
CID 122694887
US10829493, Example 16
CID 155190271
US10829493, Example 14
CID 155190305
US10829493, Example 15
CID 155190322
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(2-pyridin-3-ylethynyl)-1,7-naphthyridin-2-yl]morpholine
CID 156013847

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869378) is (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccc(N3CCCC3)cc2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is IXMOFWFSXPLIMZ-QYWNIODHSA-N. The full InChI is InChI=1S/C31H35FN6O2/c1-21-20-39-17-15-37(21)28-19-25(23-8-7-22(18-26(23)32)36-13-3-4-14-36)24-9-11-33-31(30(24)35-28)27-10-12-34-38(27)29-6-2-5-16-40-29/h7-12,18-19,21,29H,2-6,13-17,20H2,1H3/t21-,29?/m1/s1.
What are the key properties of (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 542.66 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).