(E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide

C23H25N7O — CID 145417479

IUPAC(E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide
SMILESCCc1ccc(-c2nn3c(c2-c2ccc(/N=C/N)nc2/C=C/C(N)=O)CCC3)nc1C
InChIInChI=1S/C23H25N7O/c1-3-15-6-8-18(27-14(15)2)23-22(19-5-4-12-30(19)29-23)16-7-11-21(26-13-24)28-17(16)9-10-20(25)31/h6-11,13H,3-5,12H2,1-2H3,(H2,25,31)(H2,24,26,28)/b10-9+
InChIKeyRVHCFXAIIOPTHA-MDZDMXLPSA-N
MW415.50 g/mol
LogP2.94
Rot. Bonds6

About (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide

(E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide (PubChem CID 145417479) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide
PubChem CID145417479
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name(E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide
SMILESCCc1ccc(-c2nn3c(c2-c2ccc(/N=C/N)nc2/C=C/C(N)=O)CCC3)nc1C
InChIInChI=1S/C23H25N7O/c1-3-15-6-8-18(27-14(15)2)23-22(19-5-4-12-30(19)29-23)16-7-11-21(26-13-24)28-17(16)9-10-20(25)31/h6-11,13H,3-5,12H2,1-2H3,(H2,25,31)(H2,24,26,28)/b10-9+
InChIKeyRVHCFXAIIOPTHA-MDZDMXLPSA-N
XLogP2.94
TPSA125.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide 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-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
TGF-|ARI inhibitor 1
CID 132246793
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 56836410
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081264
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide
CID 66723687
US20230339900, Example 1
CID 162760808
US20230339900, Example 115
CID 162760871
(E)-N-ethyl-3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
CID 132246792
(E)-N-methyl-3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
CID 132246832
(E)-N-cyclopropyl-3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
CID 132246894
(E)-3-[6-[3-(6-methyl-2-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
CID 132246898
(E)-3-[6-[2-(6-ethyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
CID 132246933

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide (CID 145417479) is (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide is CCc1ccc(-c2nn3c(c2-c2ccc(/N=C/N)nc2/C=C/C(N)=O)CCC3)nc1C.
What is the InChIKey of (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide?
The InChIKey is RVHCFXAIIOPTHA-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H25N7O/c1-3-15-6-8-18(27-14(15)2)23-22(19-5-4-12-30(19)29-23)16-7-11-21(26-13-24)28-17(16)9-10-20(25)31/h6-11,13H,3-5,12H2,1-2H3,(H2,25,31)(H2,24,26,28)/b10-9+.
What are the key properties of (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide?
(E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide has a molecular weight of 415.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(aminomethylideneamino)-3-[2-(5-ethyl-6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 145417479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).