1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine

C25H25N5O2 — CID 58531133

IUPAC1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
SMILESCOc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C25H25N5O2/c1-31-22-9-5-6-19(14-22)17-26-18-21-15-25(29-10-12-32-13-11-29)30-24(27-21)16-23(28-30)20-7-3-2-4-8-20/h2-9,14-17H,10-13,18H2,1H3/b26-17+
InChIKeyMHWRTMHXNDXHIN-YZSQISJMSA-N
MW427.51 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine

1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine (PubChem CID 58531133) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
PubChem CID58531133
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
SMILESCOc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C25H25N5O2/c1-31-22-9-5-6-19(14-22)17-26-18-21-15-25(29-10-12-32-13-11-29)30-24(27-21)16-23(28-30)20-7-3-2-4-8-20/h2-9,14-17H,10-13,18H2,1H3/b26-17+
InChIKeyMHWRTMHXNDXHIN-YZSQISJMSA-N
XLogP3.86
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
N,N-bis(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 58531113
4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N-propylaniline
CID 58531158
1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58530985
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118
2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
CID 136638182
7-morpholin-4-yl-2-phenyl-N-[(E)-3-phenylpropylideneamino]pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999540
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542
N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173488175

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine (CID 58531133) is 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine is COc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccccc4)cc3n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
The InChIKey is MHWRTMHXNDXHIN-YZSQISJMSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-31-22-9-5-6-19(14-22)17-26-18-21-15-25(29-10-12-32-13-11-29)30-24(27-21)16-23(28-30)20-7-3-2-4-8-20/h2-9,14-17H,10-13,18H2,1H3/b26-17+.
What are the key properties of 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine has a molecular weight of 427.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine is sourced from PubChem (CID 58531133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).