N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide

C18H21N7O — CID 70900897

IUPACN-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Nc2cc(NC3CC3)c3ncc(N)n3n2)c1
InChIInChI=1S/C18H21N7O/c1-2-17(26)23-13-5-3-4-12(8-13)22-16-9-14(21-11-6-7-11)18-20-10-15(19)25(18)24-16/h3-5,8-11,21H,2,6-7,19H2,1H3,(H,22,24)(H,23,26)
InChIKeyJMSOLOONNNXUOC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.98
Rot. Bonds6

About N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide

N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide (PubChem CID 70900897) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide
PubChem CID70900897
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Nc2cc(NC3CC3)c3ncc(N)n3n2)c1
InChIInChI=1S/C18H21N7O/c1-2-17(26)23-13-5-3-4-12(8-13)22-16-9-14(21-11-6-7-11)18-20-10-15(19)25(18)24-16/h3-5,8-11,21H,2,6-7,19H2,1H3,(H,22,24)(H,23,26)
InChIKeyJMSOLOONNNXUOC-UHFFFAOYSA-N
XLogP2.98
TPSA109.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.98
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-methylphenyl]acetamide
CID 70900932
N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-(trifluoromethyl)phenyl]acetamide
CID 70901103
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
methyl N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]carbamate
CID 59313846
6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine
CID 89082126
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
3-cyano-8-(cyclopropylamino)-6-[3-(sulfinoamino)anilino]imidazo[1,2-b]pyridazine
CID 67358031
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]propanamide
CID 106593504
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
N-[6-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-pyridinyl]acetamide
CID 59313977
N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
CID 62702824

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide (CID 70900897) is N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(Nc2cc(NC3CC3)c3ncc(N)n3n2)c1.
What is the InChIKey of N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide?
The InChIKey is JMSOLOONNNXUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-2-17(26)23-13-5-3-4-12(8-13)22-16-9-14(21-11-6-7-11)18-20-10-15(19)25(18)24-16/h3-5,8-11,21H,2,6-7,19H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide?
N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide is sourced from PubChem (CID 70900897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).