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

C24H24N6O — CID 171463185

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3c2)c1
InChIInChI=1S/C24H24N6O/c1-18-3-2-4-19(13-18)17-26-27-21-14-22-16-23(20-5-7-25-8-6-20)28-30(22)24(15-21)29-9-11-31-12-10-29/h2-8,13-17,27H,9-12H2,1H3/b26-17+
InChIKeyDFMINMIBWOQJDN-YZSQISJMSA-N
MW412.50 g/mol
LogP3.99
Rot. Bonds5

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

N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 171463185) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
PubChem CID171463185
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3c2)c1
InChIInChI=1S/C24H24N6O/c1-18-3-2-4-19(13-18)17-26-27-21-14-22-16-23(20-5-7-25-8-6-20)28-30(22)24(15-21)29-9-11-31-12-10-29/h2-8,13-17,27H,9-12H2,1H3/b26-17+
InChIKeyDFMINMIBWOQJDN-YZSQISJMSA-N
XLogP3.99
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
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

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-[(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
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
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081
4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N-propylaniline
CID 58531158
N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176610
1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 161314450
3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate
CID 150980685
(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 142437689

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine (CID 171463185) is N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3c2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is DFMINMIBWOQJDN-YZSQISJMSA-N. The full InChI is InChI=1S/C24H24N6O/c1-18-3-2-4-19(13-18)17-26-27-21-14-22-16-23(20-5-7-25-8-6-20)28-30(22)24(15-21)29-9-11-31-12-10-29/h2-8,13-17,27H,9-12H2,1H3/b26-17+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine?
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 412.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 171463185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).