6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C23H27BrN6 — CID 70214020

IUPAC6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCC)NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br
InChIInChI=1S/C23H27BrN6/c1-3-7-17(8-4-2)26-14-20-21(24)22(25)30-23(29-20)18(13-28-30)16-11-15-9-5-6-10-19(15)27-12-16/h5-6,9-13,17,26H,3-4,7-8,14,25H2,1-2H3
InChIKeyPJGJTJJURWEGSS-UHFFFAOYSA-N
MW467.42 g/mol
LogP5.35
Rot. Bonds8

About 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70214020) has the molecular formula C23H27BrN6 and a molecular weight of 467.42 g/mol. Its IUPAC name is 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70214020
Molecular FormulaC23H27BrN6
Molecular Weight467.42 g/mol
Exact Mass466.15
IUPAC Name6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCC(CCC)NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br
InChIInChI=1S/C23H27BrN6/c1-3-7-17(8-4-2)26-14-20-21(24)22(25)30-23(29-20)18(13-28-30)16-11-15-9-5-6-10-19(15)27-12-16/h5-6,9-13,17,26H,3-4,7-8,14,25H2,1-2H3
InChIKeyPJGJTJJURWEGSS-UHFFFAOYSA-N
XLogP5.35
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-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

1-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-3-one
CID 148943312
6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)oxy-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214255
(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl-(3-methoxyoxan-4-yl)-dimethylazanium
CID 90713416
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217317
6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid
CID 58173501
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217185
2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,8a-tetrahydropyrrolo[1,2-a]pyrazine-6,8-dione
CID 70217080
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
6-bromo-3-(6-fluoroquinolin-3-yl)-5-[[(3-methoxyoxan-4-yl)amino]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 67494347
6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173543
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70214020) is 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCCC(CCC)NCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.
What is the InChIKey of 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PJGJTJJURWEGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN6/c1-3-7-17(8-4-2)26-14-20-21(24)22(25)30-23(29-20)18(13-28-30)16-11-15-9-5-6-10-19(15)27-12-16/h5-6,9-13,17,26H,3-4,7-8,14,25H2,1-2H3.
What are the key properties of 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 467.42 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70214020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).