1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine

C26H24N6O2 — CID 58531077

IUPAC1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
SMILESCc1ccc(-c2cc3nc(C/N=C/c4coc5ccccc45)cc(N4CCOCC4)n3n2)cn1
InChIInChI=1S/C26H24N6O2/c1-18-6-7-19(15-28-18)23-13-25-29-21(12-26(32(25)30-23)31-8-10-33-11-9-31)16-27-14-20-17-34-24-5-3-2-4-22(20)24/h2-7,12-15,17H,8-11,16H2,1H3/b27-14+
InChIKeyLITYOZAKIPIRFR-MZJWZYIUSA-N
MW452.52 g/mol
LogP4.30
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine

1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine (PubChem CID 58531077) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
PubChem CID58531077
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
SMILESCc1ccc(-c2cc3nc(C/N=C/c4coc5ccccc45)cc(N4CCOCC4)n3n2)cn1
InChIInChI=1S/C26H24N6O2/c1-18-6-7-19(15-28-18)23-13-25-29-21(12-26(32(25)30-23)31-8-10-33-11-9-31)16-27-14-20-17-34-24-5-3-2-4-22(20)24/h2-7,12-15,17H,8-11,16H2,1H3/b27-14+
InChIKeyLITYOZAKIPIRFR-MZJWZYIUSA-N
XLogP4.30
TPSA81.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Methyl substituted pyrazole, 28
CID 23648676
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
4-(Furan-2-yl)-10-[2-(4-pyrazin-2-ylphenyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 21363905
US10774086, Example 24
CID 139465947
methyl 4-[[4-[7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]benzoate
CID 15958075
[3-(10-Morpholin-4-yl-1,6,11,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-12-yl)phenyl] furan-2-carboxylate
CID 57391047
6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212
5-Benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 44423534
4-(Furan-2-yl)-10-[2-[4-(6-methyl-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568316
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
1-[4-[4-(Furan-2-yl)phenyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 56678499

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine (CID 58531077) is 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine is Cc1ccc(-c2cc3nc(C/N=C/c4coc5ccccc45)cc(N4CCOCC4)n3n2)cn1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?
The InChIKey is LITYOZAKIPIRFR-MZJWZYIUSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-18-6-7-19(15-28-18)23-13-25-29-21(12-26(32(25)30-23)31-8-10-33-11-9-31)16-27-14-20-17-34-24-5-3-2-4-22(20)24/h2-7,12-15,17H,8-11,16H2,1H3/b27-14+.
What are the key properties of 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?
1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine has a molecular weight of 452.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-[[2-(6-methyl-3-pyridinyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine is sourced from PubChem (CID 58531077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).