(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide

C21H28N8OS — CID 123716156

IUPAC(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESN[C@H](Cc1cscn1)C(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1
InChIInChI=1S/C21H28N8OS/c22-17(9-16-11-31-12-24-16)21(30)27-15-5-3-14(4-6-15)26-19-10-18(25-13-1-2-13)20-23-7-8-29(20)28-19/h7-8,10-15,17,25H,1-6,9,22H2,(H,26,28)(H,27,30)/t14?,15?,17-/m1/s1
InChIKeyLKHCAIFJNVAMAP-VMBOVVBDSA-N
MW440.58 g/mol
LogP2.17
Rot. Bonds8

About (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide

(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 123716156) has the molecular formula C21H28N8OS and a molecular weight of 440.58 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID123716156
Molecular FormulaC21H28N8OS
Molecular Weight440.58 g/mol
Exact Mass440.21
IUPAC Name(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESN[C@H](Cc1cscn1)C(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1
InChIInChI=1S/C21H28N8OS/c22-17(9-16-11-31-12-24-16)21(30)27-15-5-3-14(4-6-15)26-19-10-18(25-13-1-2-13)20-23-7-8-29(20)28-19/h7-8,10-15,17,25H,1-6,9,22H2,(H,26,28)(H,27,30)/t14?,15?,17-/m1/s1
InChIKeyLKHCAIFJNVAMAP-VMBOVVBDSA-N
XLogP2.17
TPSA122.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide 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

(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide
CID 123140713
1-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-[3-(dimethylamino)propyl]urea
CID 123355542
6-[[4-[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 70827984
6-N-(4-aminocyclohexyl)-8-N-pyrimidin-2-ylimidazo[1,2-b]pyridazine-6,8-diamine
CID 91125366
6-[[4-[[(2R)-2-amino-3-pyridin-3-ylpropanoyl]amino]cyclohexyl]amino]-N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89007289
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-[[(2S)-2,5-diaminopentanoyl]amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87573312
6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine
CID 91266578
8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
CID 121419427
cyclopentyl 4-[[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]amino]benzoate;hydrochloride
CID 154889798
(2S)-2-amino-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 154886321
6-[[4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]cyclohexyl]amino]-N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 87573649

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide (CID 123716156) is (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide is N[C@H](Cc1cscn1)C(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1.
What is the InChIKey of (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is LKHCAIFJNVAMAP-VMBOVVBDSA-N. The full InChI is InChI=1S/C21H28N8OS/c22-17(9-16-11-31-12-24-16)21(30)27-15-5-3-14(4-6-15)26-19-10-18(25-13-1-2-13)20-23-7-8-29(20)28-19/h7-8,10-15,17,25H,1-6,9,22H2,(H,26,28)(H,27,30)/t14?,15?,17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide?
(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 440.58 g/mol, XLogP of 2.17, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 123716156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).