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

C22H22N6OS — CID 89176627

IUPACN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccsc1/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H22N6OS/c1-16-7-12-30-19(16)15-23-25-20-14-22(27-8-10-29-11-9-27)28-21(24-20)13-18(26-28)17-5-3-2-4-6-17/h2-7,12-15H,8-11H2,1H3,(H,24,25)/b23-15+
InChIKeyPINYUULIULDUDO-HZHRSRAPSA-N
MW418.53 g/mol
LogP4.05
Rot. Bonds5

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

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 89176627) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID89176627
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccsc1/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H22N6OS/c1-16-7-12-30-19(16)15-23-25-20-14-22(27-8-10-29-11-9-27)28-21(24-20)13-18(26-28)17-5-3-2-4-6-17/h2-7,12-15H,8-11H2,1H3,(H,24,25)/b23-15+
InChIKeyPINYUULIULDUDO-HZHRSRAPSA-N
XLogP4.05
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
CID 136638182
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 172983490
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542
7-morpholin-4-yl-2-phenyl-N-[(E)-3-phenylpropylideneamino]pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999540
2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
N-[(E)-[(E)-2-methylpent-2-enylidene]amino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173488175
N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 75216468
N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176664
2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814765
N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176610
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 89176627) is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1ccsc1/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is PINYUULIULDUDO-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-16-7-12-30-19(16)15-23-25-20-14-22(27-8-10-29-11-9-27)28-21(24-20)13-18(26-28)17-5-3-2-4-6-17/h2-7,12-15H,8-11H2,1H3,(H,24,25)/b23-15+.
What are the key properties of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 418.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 89176627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).