(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine

C26H25N7O2 — CID 163266546

IUPAC(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine
SMILESCOc1cccc(-c2ccn(-c3cc(N4CCO[C@@H](C)C4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C26H25N7O2/c1-18-17-31(12-13-35-18)26-16-24(28-25-15-23(30-33(25)26)19-6-9-27-10-7-19)32-11-8-22(29-32)20-4-3-5-21(14-20)34-2/h3-11,14-16,18H,12-13,17H2,1-2H3/t18-/m0/s1
InChIKeyYAUZIZJETJWWHJ-SFHVURJKSA-N
MW467.53 g/mol
LogP3.88
Rot. Bonds5

About (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine

(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine (PubChem CID 163266546) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine
PubChem CID163266546
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine
SMILESCOc1cccc(-c2ccn(-c3cc(N4CCO[C@@H](C)C4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C26H25N7O2/c1-18-17-31(12-13-35-18)26-16-24(28-25-15-23(30-33(25)26)19-6-9-27-10-7-19)32-11-8-22(29-32)20-4-3-5-21(14-20)34-2/h3-11,14-16,18H,12-13,17H2,1-2H3/t18-/m0/s1
InChIKeyYAUZIZJETJWWHJ-SFHVURJKSA-N
XLogP3.88
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methylmorpholine
CID 163266624
2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
CID 166165021
5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167126
5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167117
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440837
4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 150401923
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266571
4-[2-(2,5-dimethylpyrazol-3-yl)-5-[3-(3-methylphenyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064352
tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 168922087
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine (CID 163266546) is (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine is COc1cccc(-c2ccn(-c3cc(N4CCO[C@@H](C)C4)n4nc(-c5ccncc5)cc4n3)n2)c1.
What is the InChIKey of (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine?
The InChIKey is YAUZIZJETJWWHJ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-18-17-31(12-13-35-18)26-16-24(28-25-15-23(30-33(25)26)19-6-9-27-10-7-19)32-11-8-22(29-32)20-4-3-5-21(14-20)34-2/h3-11,14-16,18H,12-13,17H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine?
(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine has a molecular weight of 467.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine is sourced from PubChem (CID 163266546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).