2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide

C20H20BrN9O — CID 154629240

IUPAC2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCC1(C)CN(c2ccc(C#N)nn2)C=C[C@H]1Nc1c(CC(N)=O)cnc2cc(Br)nn12
InChIInChI=1S/C20H20BrN9O/c1-20(2)11-29(17-4-3-13(9-22)26-27-17)6-5-14(20)25-19-12(7-16(23)31)10-24-18-8-15(21)28-30(18)19/h3-6,8,10,14,25H,7,11H2,1-2H3,(H2,23,31)/t14-/m1/s1
InChIKeyUQQLDWCWOHPUPQ-CQSZACIVSA-N
MW482.35 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide

2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 154629240) has the molecular formula C20H20BrN9O and a molecular weight of 482.35 g/mol. Its IUPAC name is 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID154629240
Molecular FormulaC20H20BrN9O
Molecular Weight482.35 g/mol
Exact Mass481.10
IUPAC Name2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCC1(C)CN(c2ccc(C#N)nn2)C=C[C@H]1Nc1c(CC(N)=O)cnc2cc(Br)nn12
InChIInChI=1S/C20H20BrN9O/c1-20(2)11-29(17-4-3-13(9-22)26-27-17)6-5-14(20)25-19-12(7-16(23)31)10-24-18-8-15(21)28-30(18)19/h3-6,8,10,14,25H,7,11H2,1-2H3,(H2,23,31)/t14-/m1/s1
InChIKeyUQQLDWCWOHPUPQ-CQSZACIVSA-N
XLogP2.02
TPSA138.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 154629240) is 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide is CC1(C)CN(c2ccc(C#N)nn2)C=C[C@H]1Nc1c(CC(N)=O)cnc2cc(Br)nn12.
What is the InChIKey of 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is UQQLDWCWOHPUPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20BrN9O/c1-20(2)11-29(17-4-3-13(9-22)26-27-17)6-5-14(20)25-19-12(7-16(23)31)10-24-18-8-15(21)28-30(18)19/h3-6,8,10,14,25H,7,11H2,1-2H3,(H2,23,31)/t14-/m1/s1.
What are the key properties of 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 482.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethyl-2,4-dihydropyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 154629240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).