3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C32H25Br2F3N10 — CID 142869865

IUPAC3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccncc2)n2ncc(Br)c2n1.FC(F)(F)c1cccc(-c2cc(Nc3cccnc3)n3ncc(Br)c3n2)c1
InChIInChI=1S/C18H11BrF3N5.C14H14BrN5/c19-14-10-24-27-16(25-13-5-2-6-23-9-13)8-15(26-17(14)27)11-3-1-4-12(7-11)18(20,21)22;1-9(2)12-7-13(18-10-3-5-16-6-4-10)20-14(19-12)11(15)8-17-20/h1-10,25H;3-9H,1-2H3,(H,16,18)
InChIKeyURXVZOQIVJAQNO-UHFFFAOYSA-N
MW766.42 g/mol
LogP9.07
Rot. Bonds6

About 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142869865) has the molecular formula C32H25Br2F3N10 and a molecular weight of 766.42 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID142869865
Molecular FormulaC32H25Br2F3N10
Molecular Weight766.42 g/mol
Exact Mass764.06
IUPAC Name3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccncc2)n2ncc(Br)c2n1.FC(F)(F)c1cccc(-c2cc(Nc3cccnc3)n3ncc(Br)c3n2)c1
InChIInChI=1S/C18H11BrF3N5.C14H14BrN5/c19-14-10-24-27-16(25-13-5-2-6-23-9-13)8-15(26-17(14)27)11-3-1-4-12(7-11)18(20,21)22;1-9(2)12-7-13(18-10-3-5-16-6-4-10)20-14(19-12)11(15)8-17-20/h1-10,25H;3-9H,1-2H3,(H,16,18)
InChIKeyURXVZOQIVJAQNO-UHFFFAOYSA-N
XLogP9.07
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.42
LogP ≤ 59.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

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1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
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3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505
N-(4-((3S,5R)-3-Amino-5-methylpiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70982568
N-[4-[(3S,4S)-3-amino-4-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70983036
N-[4-[(3S,4R)-3-amino-4-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70983181

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 142869865) is 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(Nc2ccncc2)n2ncc(Br)c2n1.FC(F)(F)c1cccc(-c2cc(Nc3cccnc3)n3ncc(Br)c3n2)c1.
What is the InChIKey of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is URXVZOQIVJAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrF3N5.C14H14BrN5/c19-14-10-24-27-16(25-13-5-2-6-23-9-13)8-15(26-17(14)27)11-3-1-4-12(7-11)18(20,21)22;1-9(2)12-7-13(18-10-3-5-16-6-4-10)20-14(19-12)11(15)8-17-20/h1-10,25H;3-9H,1-2H3,(H,16,18).
What are the key properties of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 766.42 g/mol, XLogP of 9.07, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142869865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).