(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine

C26H28FN5O — CID 124967443

IUPAC(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1
InChIInChI=1S/C26H28FN5O/c1-17-10-19(3)32-26(30-17)22(14-28-32)15-31-8-9-33-25(16-31)24-13-21(11-18(2)29-24)12-20-4-6-23(27)7-5-20/h4-7,10-11,13-14,25H,8-9,12,15-16H2,1-3H3/t25-/m1/s1
InChIKeyITCZGDWTRGAULR-RUZDIDTESA-N
MW445.54 g/mol
LogP4.35
Rot. Bonds5

About (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine

(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine (PubChem CID 124967443) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
PubChem CID124967443
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1
InChIInChI=1S/C26H28FN5O/c1-17-10-19(3)32-26(30-17)22(14-28-32)15-31-8-9-33-25(16-31)24-13-21(11-18(2)29-24)12-20-4-6-23(27)7-5-20/h4-7,10-11,13-14,25H,8-9,12,15-16H2,1-3H3/t25-/m1/s1
InChIKeyITCZGDWTRGAULR-RUZDIDTESA-N
XLogP4.35
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734
(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 125002519
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 124988726
N-[2-[(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 95190577
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432210
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-amine
CID 124982771
(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-4-(pyridin-4-ylmethyl)morpholine
CID 124993881
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
N,N,2-trimethyl-6-[(2R)-4-[(6-methyl-3-pyridinyl)methyl]morpholin-2-yl]pyridin-4-amine
CID 124990677
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine?
The IUPAC name of (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine (CID 124967443) is (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine.
What is the SMILES notation for (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine?
The canonical SMILES for (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine is Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CN(Cc3cnn4c(C)cc(C)nc34)CCO2)n1.
What is the InChIKey of (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine?
The InChIKey is ITCZGDWTRGAULR-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28FN5O/c1-17-10-19(3)32-26(30-17)22(14-28-32)15-31-8-9-33-25(16-31)24-13-21(11-18(2)29-24)12-20-4-6-23(27)7-5-20/h4-7,10-11,13-14,25H,8-9,12,15-16H2,1-3H3/t25-/m1/s1.
What are the key properties of (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine?
(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine has a molecular weight of 445.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholine is sourced from PubChem (CID 124967443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).