4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine

C21H18ClN9O — CID 118981866

IUPAC4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nnc(-c2c(N)ncnc2N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)o1
InChIInChI=1S/C21H18ClN9O/c1-11(27-20-17(19(23)25-10-26-20)21-29-28-12(2)32-21)14-8-16-24-9-15(22)31(16)30-18(14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
InChIKeyBIIDDVUADIUYBJ-NSHDSACASA-N
MW447.89 g/mol
LogP3.95
Rot. Bonds5

About 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine

4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine (PubChem CID 118981866) has the molecular formula C21H18ClN9O and a molecular weight of 447.89 g/mol. Its IUPAC name is 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
PubChem CID118981866
Molecular FormulaC21H18ClN9O
Molecular Weight447.89 g/mol
Exact Mass447.13
IUPAC Name4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
SMILESCc1nnc(-c2c(N)ncnc2N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)o1
InChIInChI=1S/C21H18ClN9O/c1-11(27-20-17(19(23)25-10-26-20)21-29-28-12(2)32-21)14-8-16-24-9-15(22)31(16)30-18(14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
InChIKeyBIIDDVUADIUYBJ-NSHDSACASA-N
XLogP3.95
TPSA132.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine 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

N-(3-(3-chlorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851201
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181634
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methyl-3-pyrimidin-5-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181635
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-5-pyrimidinecarboxamide
CID 118538916
N-[3-(4-aminocyclohexyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357807
N-[3-[4-(aminomethyl)cyclohexyl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357808
6-chloro-N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275563
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyrimidine-5-carboxamide
CID 118537116
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridazine-4-carboxamide
CID 118537167
5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-methylpyrazole-4-carboxamide
CID 118537182
5-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
CID 118537195
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrazine-2-carboxamide
CID 118550856

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine (CID 118981866) is 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine is Cc1nnc(-c2c(N)ncnc2N[C@@H](C)c2cc3ncc(Cl)n3nc2-c2ccccc2)o1.
What is the InChIKey of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is BIIDDVUADIUYBJ-NSHDSACASA-N. The full InChI is InChI=1S/C21H18ClN9O/c1-11(27-20-17(19(23)25-10-26-20)21-29-28-12(2)32-21)14-8-16-24-9-15(22)31(16)30-18(14)13-6-4-3-5-7-13/h3-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1.
What are the key properties of 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 447.89 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 118981866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).