1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine

C26H21BrN4 — CID 57378515

IUPAC1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4c5cccc(Br)c5nn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H21BrN4/c27-22-9-4-8-20-24(22)30-31-16-21(17-6-2-1-3-7-17)23(29-25(20)31)18-10-12-19(13-11-18)26(28)14-5-15-26/h1-4,6-13,16H,5,14-15,28H2
InChIKeyQEYYDDZOUTZDSR-UHFFFAOYSA-N
MW469.39 g/mol
LogP6.32
Rot. Bonds3

About 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine

1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 57378515) has the molecular formula C26H21BrN4 and a molecular weight of 469.39 g/mol. Its IUPAC name is 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine
PubChem CID57378515
Molecular FormulaC26H21BrN4
Molecular Weight469.39 g/mol
Exact Mass468.09
IUPAC Name1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4c5cccc(Br)c5nn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H21BrN4/c27-22-9-4-8-20-24(22)30-31-16-21(17-6-2-1-3-7-17)23(29-25(20)31)18-10-12-19(13-11-18)26(28)14-5-15-26/h1-4,6-13,16H,5,14-15,28H2
InChIKeyQEYYDDZOUTZDSR-UHFFFAOYSA-N
XLogP6.32
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazole-7-carboxylic acid
CID 118221665
1-[4-[10-(4-methylphenyl)-3-phenylpyrimido[1,2-b]indazol-2-yl]phenyl]cyclobutan-1-amine
CID 57378412
methyl 3-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-9-yl]benzoate
CID 57378201
1-[4-(2-phenoxy-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine
CID 46927471
methyl 5-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]pyridine-2-carboxylate
CID 57378089
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
1-[4-(6-phenyl-2-pyrazin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutan-1-amine
CID 46927620
1-[4-[2-(3-methoxypropyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]cyclobutan-1-amine
CID 147220702
tert-butyl N-[1-[4-(7-cyano-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutyl]carbamate
CID 86702540
N-[5-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclopropanecarboxamide
CID 46927544
5-[4-(1-aminocyclobutyl)phenyl]-N-(2-methoxyethyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 56602593
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927249

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine (CID 57378515) is 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4c5cccc(Br)c5nn4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is QEYYDDZOUTZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN4/c27-22-9-4-8-20-24(22)30-31-16-21(17-6-2-1-3-7-17)23(29-25(20)31)18-10-12-19(13-11-18)26(28)14-5-15-26/h1-4,6-13,16H,5,14-15,28H2.
What are the key properties of 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine?
1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 469.39 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-bromo-3-phenylpyrimido[1,2-b]indazol-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 57378515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).