(2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

C24H23FN6O — CID 157044474

IUPAC(2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1ccc(-c2nc(N3CCO[C@H](c4cnnc(C)c4)C3)nc3nc(C)ccc23)c(F)c1
InChIInChI=1S/C24H23FN6O/c1-14-4-6-18(20(25)10-14)22-19-7-5-15(2)27-23(19)29-24(28-22)31-8-9-32-21(13-31)17-11-16(3)30-26-12-17/h4-7,10-12,21H,8-9,13H2,1-3H3/t21-/m0/s1
InChIKeyQYUHDTCTMXVRJN-NRFANRHFSA-N
MW430.49 g/mol
LogP4.12
Rot. Bonds3

About (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

(2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (PubChem CID 157044474) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
PubChem CID157044474
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name(2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1ccc(-c2nc(N3CCO[C@H](c4cnnc(C)c4)C3)nc3nc(C)ccc23)c(F)c1
InChIInChI=1S/C24H23FN6O/c1-14-4-6-18(20(25)10-14)22-19-7-5-15(2)27-23(19)29-24(28-22)31-8-9-32-21(13-31)17-11-16(3)30-26-12-17/h4-7,10-12,21H,8-9,13H2,1-3H3/t21-/m0/s1
InChIKeyQYUHDTCTMXVRJN-NRFANRHFSA-N
XLogP4.12
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-4-[7-[4-fluoro-3-(methoxymethyl)phenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441998
1,3-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70720170
5,7-Dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72838623
4-[2-[4-[5-[2-[2-Fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 53345182
4-[3-[4-[5-[2-(2,5-Difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
CID 53345408
2-(2,5-Difluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
CID 53345410
2-(2-Fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
CID 53345519
4-[3-[4-[5-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
CID 53345938
5-(4-Fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54038553
5-(3-Fluorophenyl)-7-(2-morpholin-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54483392
1-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-4-methoxypyrido[3,4-d]pyridazine
CID 56592036
4-[2-[1-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine
CID 56592037

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The IUPAC name of (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (CID 157044474) is (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The canonical SMILES for (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is Cc1ccc(-c2nc(N3CCO[C@H](c4cnnc(C)c4)C3)nc3nc(C)ccc23)c(F)c1.
What is the InChIKey of (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The InChIKey is QYUHDTCTMXVRJN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-14-4-6-18(20(25)10-14)22-19-7-5-15(2)27-23(19)29-24(28-22)31-8-9-32-21(13-31)17-11-16(3)30-26-12-17/h4-7,10-12,21H,8-9,13H2,1-3H3/t21-/m0/s1.
What are the key properties of (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
(2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine has a molecular weight of 430.49 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(2-fluoro-4-methylphenyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is sourced from PubChem (CID 157044474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).