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

C26H25N7O — CID 172983490

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1[nH]c2ccccc2c1/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C26H25N7O/c1-18-21(20-9-5-6-10-22(20)28-18)17-27-30-24-16-26(32-11-13-34-14-12-32)33-25(29-24)15-23(31-33)19-7-3-2-4-8-19/h2-10,15-17,28H,11-14H2,1H3,(H,29,30)/b27-17+
InChIKeyHCMFCVFMGTXMNN-WPWMEQJKSA-N
MW451.53 g/mol
LogP4.47
Rot. Bonds5

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

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 172983490) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID172983490
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1[nH]c2ccccc2c1/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C26H25N7O/c1-18-21(20-9-5-6-10-22(20)28-18)17-27-30-24-16-26(32-11-13-34-14-12-32)33-25(29-24)15-23(31-33)19-7-3-2-4-8-19/h2-10,15-17,28H,11-14H2,1H3,(H,29,30)/b27-17+
InChIKeyHCMFCVFMGTXMNN-WPWMEQJKSA-N
XLogP4.47
TPSA82.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.47
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'}

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Related Compounds

N-[(E)-1H-indol-4-ylmethylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176664
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
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
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
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980
N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 75216468
1H-indol-3-ylmethyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123719867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 172983490) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1[nH]c2ccccc2c1/C=N/Nc1cc(N2CCOCC2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HCMFCVFMGTXMNN-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H25N7O/c1-18-21(20-9-5-6-10-22(20)28-18)17-27-30-24-16-26(32-11-13-34-14-12-32)33-25(29-24)15-23(31-33)19-7-3-2-4-8-19/h2-10,15-17,28H,11-14H2,1H3,(H,29,30)/b27-17+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 451.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 172983490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).