N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C22H22N8O — CID 173486980

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4cnccn4)cc3n2)c1
InChIInChI=1S/C22H22N8O/c1-16-3-2-4-17(11-16)14-25-27-20-13-22(29-7-9-31-10-8-29)30-21(26-20)12-18(28-30)19-15-23-5-6-24-19/h2-6,11-15H,7-10H2,1H3,(H,26,27)/b25-14+
InChIKeyGCRRTQBDJVVTGH-AFUMVMLFSA-N
MW414.47 g/mol
LogP2.78
Rot. Bonds5

About N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 173486980) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID173486980
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4cnccn4)cc3n2)c1
InChIInChI=1S/C22H22N8O/c1-16-3-2-4-17(11-16)14-25-27-20-13-22(29-7-9-31-10-8-29)30-21(26-20)12-18(28-30)19-15-23-5-6-24-19/h2-6,11-15H,7-10H2,1H3,(H,26,27)/b25-14+
InChIKeyGCRRTQBDJVVTGH-AFUMVMLFSA-N
XLogP2.78
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814765
N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 75216468
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 135338462
N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176610
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
CID 171463185
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
CID 136638182
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 172983490
N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176664

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 173486980) is N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4cnccn4)cc3n2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is GCRRTQBDJVVTGH-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H22N8O/c1-16-3-2-4-17(11-16)14-25-27-20-13-22(29-7-9-31-10-8-29)30-21(26-20)12-18(28-30)19-15-23-5-6-24-19/h2-6,11-15H,7-10H2,1H3,(H,26,27)/b25-14+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 414.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 173486980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).