5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine

C19H22BrN7 — CID 171328996

IUPAC5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Br)cn1)C1CCN(c2nccn3nc(C4CC4)cc23)CC1
InChIInChI=1S/C19H22BrN7/c1-25(19-22-11-14(20)12-23-19)15-4-7-26(8-5-15)18-17-10-16(13-2-3-13)24-27(17)9-6-21-18/h6,9-13,15H,2-5,7-8H2,1H3
InChIKeyNGOXDEAOYCTBBA-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.26
Rot. Bonds4

About 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine

5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 171328996) has the molecular formula C19H22BrN7 and a molecular weight of 428.34 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID171328996
Molecular FormulaC19H22BrN7
Molecular Weight428.34 g/mol
Exact Mass427.11
IUPAC Name5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Br)cn1)C1CCN(c2nccn3nc(C4CC4)cc23)CC1
InChIInChI=1S/C19H22BrN7/c1-25(19-22-11-14(20)12-23-19)15-4-7-26(8-5-15)18-17-10-16(13-2-3-13)24-27(17)9-6-21-18/h6,9-13,15H,2-5,7-8H2,1H3
InChIKeyNGOXDEAOYCTBBA-UHFFFAOYSA-N
XLogP3.26
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981617
2-cyclopropyl-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830210
1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azepan-4-ol
CID 171691218
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880
2-cyclopropyl-4-(3,3-difluoroazetidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 171995190
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166603615
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864229
2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171994745
N-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881969
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328258
2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 163348616

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 171328996) is 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Br)cn1)C1CCN(c2nccn3nc(C4CC4)cc23)CC1.
What is the InChIKey of 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is NGOXDEAOYCTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN7/c1-25(19-22-11-14(20)12-23-19)15-4-7-26(8-5-15)18-17-10-16(13-2-3-13)24-27(17)9-6-21-18/h6,9-13,15H,2-5,7-8H2,1H3.
What are the key properties of 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 428.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171328996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).