1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine

C27H30N6O — CID 167220048

IUPAC1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine
SMILESCc1cc(-c2cc3c(-c4cnc5c(c4)NCCO5)c[nH]c3nn2)cc(C)c1CC1(N(C)C)CC1
InChIInChI=1S/C27H30N6O/c1-16-9-18(10-17(2)21(16)13-27(5-6-27)33(3)4)23-12-20-22(15-29-25(20)32-31-23)19-11-24-26(30-14-19)34-8-7-28-24/h9-12,14-15,28H,5-8,13H2,1-4H3,(H,29,32)
InChIKeyXFOIPKLDAZYUQO-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.74
Rot. Bonds5

About 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine

1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 167220048) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID167220048
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine
SMILESCc1cc(-c2cc3c(-c4cnc5c(c4)NCCO5)c[nH]c3nn2)cc(C)c1CC1(N(C)C)CC1
InChIInChI=1S/C27H30N6O/c1-16-9-18(10-17(2)21(16)13-27(5-6-27)33(3)4)23-12-20-22(15-29-25(20)32-31-23)19-11-24-26(30-14-19)34-8-7-28-24/h9-12,14-15,28H,5-8,13H2,1-4H3,(H,29,32)
InChIKeyXFOIPKLDAZYUQO-UHFFFAOYSA-N
XLogP4.74
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine 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

7-[3-[4,6-dimethyl-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-7H-pyrrolo[2,3-c]pyridazin-5-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 167220374
7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936733
5-[3-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-c]pyridazin-5-yl]-2-methoxypyridin-3-amine
CID 167220390
(7S)-3-[5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]-7-pyrrolidin-1-yl-5,6,8,9-tetrahydrobenzo[7]annulen-7-amine
CID 170705099
3-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazine
CID 167220029
7-fluoro-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 126971931
2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde
CID 90105679
3-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylindazol-5-yl)-7H-pyrrolo[2,3-c]pyridazine
CID 167220355
7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 166462287
ethyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylate
CID 131337609
N,N-dimethyl-1-[5-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2-(oxolan-3-yl)phenyl]methanamine
CID 167220027
7-(2,4-dimethylphenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 117000695

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine (CID 167220048) is 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine is Cc1cc(-c2cc3c(-c4cnc5c(c4)NCCO5)c[nH]c3nn2)cc(C)c1CC1(N(C)C)CC1.
What is the InChIKey of 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is XFOIPKLDAZYUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-16-9-18(10-17(2)21(16)13-27(5-6-27)33(3)4)23-12-20-22(15-29-25(20)32-31-23)19-11-24-26(30-14-19)34-8-7-28-24/h9-12,14-15,28H,5-8,13H2,1-4H3,(H,29,32).
What are the key properties of 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine?
1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 454.58 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]-2,6-dimethylphenyl]methyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 167220048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).