N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

C25H23N7O — CID 89176664

IUPACN-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESC(=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1)\c1cccc2[nH]ccc12
InChIInChI=1S/C25H23N7O/c1-2-5-18(6-3-1)22-15-24-28-23(16-25(32(24)30-22)31-11-13-33-14-12-31)29-27-17-19-7-4-8-21-20(19)9-10-26-21/h1-10,15-17,26H,11-14H2,(H,28,29)/b27-17+
InChIKeyWDNUMHGXUQQOES-WPWMEQJKSA-N
MW437.51 g/mol
LogP4.16
Rot. Bonds5

About N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine

N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 89176664) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID89176664
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC NameN-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESC(=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1)\c1cccc2[nH]ccc12
InChIInChI=1S/C25H23N7O/c1-2-5-18(6-3-1)22-15-24-28-23(16-25(32(24)30-22)31-11-13-33-14-12-31)29-27-17-19-7-4-8-21-20(19)9-10-26-21/h1-10,15-17,26H,11-14H2,(H,28,29)/b27-17+
InChIKeyWDNUMHGXUQQOES-WPWMEQJKSA-N
XLogP4.16
TPSA82.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 172983490
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-(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
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
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
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
1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123719867
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980
[2-(3-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
CID 70867227

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 89176664) is N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is C(=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1)\c1cccc2[nH]ccc12.
What is the InChIKey of N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WDNUMHGXUQQOES-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H23N7O/c1-2-5-18(6-3-1)22-15-24-28-23(16-25(32(24)30-22)31-11-13-33-14-12-31)29-27-17-19-7-4-8-21-20(19)9-10-26-21/h1-10,15-17,26H,11-14H2,(H,28,29)/b27-17+.
What are the key properties of N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 437.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 89176664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).