N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide

C19H18N4O2 — CID 177023077

IUPACN-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1(c2cc3cc(-c4ccccc4O)nnc3[nH]2)CC1
InChIInChI=1S/C19H18N4O2/c1-3-17(25)23(2)19(8-9-19)16-11-12-10-14(21-22-18(12)20-16)13-6-4-5-7-15(13)24/h3-7,10-11,24H,1,8-9H2,2H3,(H,20,22)
InChIKeyHOJRETUXGFYFFZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.96
Rot. Bonds4

About N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide

N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide (PubChem CID 177023077) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide
PubChem CID177023077
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1(c2cc3cc(-c4ccccc4O)nnc3[nH]2)CC1
InChIInChI=1S/C19H18N4O2/c1-3-17(25)23(2)19(8-9-19)16-11-12-10-14(21-22-18(12)20-16)13-6-4-5-7-15(13)24/h3-7,10-11,24H,1,8-9H2,2H3,(H,20,22)
InChIKeyHOJRETUXGFYFFZ-UHFFFAOYSA-N
XLogP2.96
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-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

1-[(3R)-3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-3-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 177023898
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2-azabicyclo[2.1.1]hexan-2-yl]prop-2-en-1-one
CID 177022774
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-6-azaspiro[3.4]octan-6-yl]prop-2-en-1-one
CID 177024065
1-[5-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2-azaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 177023941
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023083
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023632
1-[6-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2,3-dihydroindol-1-yl]prop-2-en-1-one
CID 177023550
1-[3-(azetidin-1-yl)-4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 177023803
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]propan-1-one
CID 163374468
(2S,4R)-4-[3-(2-hydroxyphenyl)-5-methyl-7H-pyrrolo[2,3-c]pyridazin-6-yl]-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 177023300
1-[3-[5-[(dimethylamino)methyl]-3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]prop-2-en-1-one
CID 177023235
1-[3-[[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]sulfonyl]azetidin-1-yl]ethanone
CID 167081119

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide?
The IUPAC name of N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide (CID 177023077) is N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide is C=CC(=O)N(C)C1(c2cc3cc(-c4ccccc4O)nnc3[nH]2)CC1.
What is the InChIKey of N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide?
The InChIKey is HOJRETUXGFYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-17(25)23(2)19(8-9-19)16-11-12-10-14(21-22-18(12)20-16)13-6-4-5-7-15(13)24/h3-7,10-11,24H,1,8-9H2,2H3,(H,20,22).
What are the key properties of N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide?
N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide has a molecular weight of 334.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]cyclopropyl]-N-methylprop-2-enamide is sourced from PubChem (CID 177023077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).