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

C21H33N7O — CID 123140713

IUPAC(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1
InChIInChI=1S/C21H33N7O/c1-13(2)11-17(22)21(29)26-16-7-5-15(6-8-16)25-19-12-18(24-14-3-4-14)20-23-9-10-28(20)27-19/h9-10,12-17,24H,3-8,11,22H2,1-2H3,(H,25,27)(H,26,29)/t15?,16?,17-/m1/s1
InChIKeySURZNWSRABCUHB-OFLPRAFFSA-N
MW399.54 g/mol
LogP2.52
Rot. Bonds8

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

(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide (PubChem CID 123140713) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide
PubChem CID123140713
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC Name(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC1CCC(Nc2cc(NC3CC3)c3nccn3n2)CC1
InChIInChI=1S/C21H33N7O/c1-13(2)11-17(22)21(29)26-16-7-5-15(6-8-16)25-19-12-18(24-14-3-4-14)20-23-9-10-28(20)27-19/h9-10,12-17,24H,3-8,11,22H2,1-2H3,(H,25,27)(H,26,29)/t15?,16?,17-/m1/s1
InChIKeySURZNWSRABCUHB-OFLPRAFFSA-N
XLogP2.52
TPSA109.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.52
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

6-(Cyclohexylamino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943149
2-cyclopropyl-N-[(1S,3R)-3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]acetamide
CID 136009345
US10166214, Example 46
CID 86294245
2-cyclohexyl-N-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)acetamide
CID 75386616
Cyclopentyl-[2-[3-(imidazo[1,2-b]pyridazin-6-ylamino)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 136548482
cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
CID 157030579
cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide
CID 157030634
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;prop-1-ene
CID 157030695
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane
CID 157030721
cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine
CID 157030723
cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
CID 157030741
N-[[2-[[2,3-bis(methylimino)butanoylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;cyclopropane;1,1-difluorocyclohexane;ethane
CID 157030770

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]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide (CID 123140713) is (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide is CC(C)C[C@@H](N)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]-4-methylpentanamide?
The InChIKey is SURZNWSRABCUHB-OFLPRAFFSA-N. The full InChI is InChI=1S/C21H33N7O/c1-13(2)11-17(22)21(29)26-16-7-5-15(6-8-16)25-19-12-18(24-14-3-4-14)20-23-9-10-28(20)27-19/h9-10,12-17,24H,3-8,11,22H2,1-2H3,(H,25,27)(H,26,29)/t15?,16?,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]-4-methylpentanamide?
(2R)-2-amino-N-[4-[[8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]-4-methylpentanamide has a molecular weight of 399.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 4 hydrogen bond donors, and 7 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]-4-methylpentanamide is sourced from PubChem (CID 123140713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).