3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H12BrClFN5 — CID 21067201

IUPAC3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2ccc(Cl)nc2)n2ncc(Br)c2n1
InChIInChI=1S/C18H12BrClFN5/c19-13-10-24-26-17(23-9-11-5-6-16(20)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)21/h1-8,10,23H,9H2
InChIKeySTHWYDIMTMHNCI-UHFFFAOYSA-N
MW432.68 g/mol
LogP4.96
Rot. Bonds4

About 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067201) has the molecular formula C18H12BrClFN5 and a molecular weight of 432.68 g/mol. Its IUPAC name is 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067201
Molecular FormulaC18H12BrClFN5
Molecular Weight432.68 g/mol
Exact Mass430.99
IUPAC Name3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccccc1-c1cc(NCc2ccc(Cl)nc2)n2ncc(Br)c2n1
InChIInChI=1S/C18H12BrClFN5/c19-13-10-24-26-17(23-9-11-5-6-16(20)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)21/h1-8,10,23H,9H2
InChIKeySTHWYDIMTMHNCI-UHFFFAOYSA-N
XLogP4.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[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

Amdizalisib
CID 118981804
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21067201) is 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccccc1-c1cc(NCc2ccc(Cl)nc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is STHWYDIMTMHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClFN5/c19-13-10-24-26-17(23-9-11-5-6-16(20)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)21/h1-8,10,23H,9H2.
What are the key properties of 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 432.68 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-chloro-3-pyridinyl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).