[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid

C13H16BrN5O2 — CID 170433650

IUPAC[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@H]1CCCC[C@H]1Nc1ccn2nc(Br)cc2n1
InChIInChI=1S/C13H16BrN5O2/c14-10-7-12-17-11(5-6-19(12)18-10)15-8-3-1-2-4-9(8)16-13(20)21/h5-9,16H,1-4H2,(H,15,17)(H,20,21)/t8-,9+/m1/s1
InChIKeyUCXGMZYGQQICEP-BDAKNGLRSA-N
MW354.21 g/mol
LogP2.48
Rot. Bonds3

About [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid

[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid (PubChem CID 170433650) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid
PubChem CID170433650
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@H]1CCCC[C@H]1Nc1ccn2nc(Br)cc2n1
InChIInChI=1S/C13H16BrN5O2/c14-10-7-12-17-11(5-6-19(12)18-10)15-8-3-1-2-4-9(8)16-13(20)21/h5-9,16H,1-4H2,(H,15,17)(H,20,21)/t8-,9+/m1/s1
InChIKeyUCXGMZYGQQICEP-BDAKNGLRSA-N
XLogP2.48
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid 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

2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
CID 113296576
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721477
N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373212
N-(2-methylcyclopentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372556
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721475
[(1S,2R)-2-[4-cyano-3-(3,5-dimethylanilino)anilino]cyclohexyl]carbamic acid
CID 67772820
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
2-N-[2-[3-(difluoromethyl)-1-(4-ethylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine;ethane
CID 155582429
N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155267268
3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 61468009
[(1S,2R)-2-[4-cyano-3-(4-fluoroanilino)anilino]cyclohexyl]carbamic acid
CID 67775635

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid (CID 170433650) is [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid is O=C(O)N[C@H]1CCCC[C@H]1Nc1ccn2nc(Br)cc2n1.
What is the InChIKey of [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid?
The InChIKey is UCXGMZYGQQICEP-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c14-10-7-12-17-11(5-6-19(12)18-10)15-8-3-1-2-4-9(8)16-13(20)21/h5-9,16H,1-4H2,(H,15,17)(H,20,21)/t8-,9+/m1/s1.
What are the key properties of [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid?
[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid has a molecular weight of 354.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 170433650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).