N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide

C18H21N7O — CID 70900932

IUPACN-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)ccc1C
InChIInChI=1S/C18H21N7O/c1-10-3-4-13(7-14(10)21-11(2)26)23-17-8-15(22-12-5-6-12)18-20-9-16(19)25(18)24-17/h3-4,7-9,12,22H,5-6,19H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyFLJSCMHMXVSVRF-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds5

About N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide

N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide (PubChem CID 70900932) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide
PubChem CID70900932
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)ccc1C
InChIInChI=1S/C18H21N7O/c1-10-3-4-13(7-14(10)21-11(2)26)23-17-8-15(22-12-5-6-12)18-20-9-16(19)25(18)24-17/h3-4,7-9,12,22H,5-6,19H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyFLJSCMHMXVSVRF-UHFFFAOYSA-N
XLogP2.90
TPSA109.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-(trifluoromethyl)phenyl]acetamide
CID 70901103
N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide
CID 70900897
6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine
CID 89082126
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-4-methylphenyl]carbamate
CID 59314022
N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]acetamide
CID 59313974
1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
CID 70901098
8-N-cyclopropyl-6-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(1,2,4-triazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine
CID 70900887
N-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
CID 73346024
N-[5-[[3-isocyano-8-[(5-methoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide
CID 59313878
N-[2-methyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43735881
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide (CID 70900932) is N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)ccc1C.
What is the InChIKey of N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is FLJSCMHMXVSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-10-3-4-13(7-14(10)21-11(2)26)23-17-8-15(22-12-5-6-12)18-20-9-16(19)25(18)24-17/h3-4,7-9,12,22H,5-6,19H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide?
N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 70900932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).