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

C25H25N5O — CID 58531005

IUPAC1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
SMILESCc1ccccc1/C=N/Cc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C25H25N5O/c1-19-7-5-6-10-21(19)17-26-18-22-15-25(29-11-13-31-14-12-29)30-24(27-22)16-23(28-30)20-8-3-2-4-9-20/h2-10,15-17H,11-14,18H2,1H3/b26-17+
InChIKeyRRMWQGPWXXPIMU-YZSQISJMSA-N
MW411.51 g/mol
LogP4.16
Rot. Bonds5

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

1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine (PubChem CID 58531005) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
PubChem CID58531005
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
SMILESCc1ccccc1/C=N/Cc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C25H25N5O/c1-19-7-5-6-10-21(19)17-26-18-22-15-25(29-11-13-31-14-12-29)30-24(27-22)16-23(28-30)20-8-3-2-4-9-20/h2-10,15-17H,11-14,18H2,1H3/b26-17+
InChIKeyRRMWQGPWXXPIMU-YZSQISJMSA-N
XLogP4.16
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531133
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081
(4,5-dimethylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123590757
4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N-propylaniline
CID 58531158
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118
(5-methylfuran-2-yl)methyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123271449
N,N-bis(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 58531113
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
4-[5-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 58531138
1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58530985
4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921732
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-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
The IUPAC name of 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine (CID 58531005) is 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine is Cc1ccccc1/C=N/Cc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
The InChIKey is RRMWQGPWXXPIMU-YZSQISJMSA-N. The full InChI is InChI=1S/C25H25N5O/c1-19-7-5-6-10-21(19)17-26-18-22-15-25(29-11-13-31-14-12-29)30-24(27-22)16-23(28-30)20-8-3-2-4-9-20/h2-10,15-17H,11-14,18H2,1H3/b26-17+.
What are the key properties of 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine?
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine has a molecular weight of 411.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine is sourced from PubChem (CID 58531005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).