2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol

C16H19BrN6O — CID 11292240

IUPAC2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C16H19BrN6O/c1-16(2,10-24)22-13-6-14(19-8-11-4-3-5-18-7-11)23-15(21-13)12(17)9-20-23/h3-7,9,19,24H,8,10H2,1-2H3,(H,21,22)
InChIKeySHACQVPGLONZAK-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.68
Rot. Bonds6

About 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol

2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol (PubChem CID 11292240) has the molecular formula C16H19BrN6O and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
PubChem CID11292240
Molecular FormulaC16H19BrN6O
Molecular Weight391.27 g/mol
Exact Mass390.08
IUPAC Name2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C16H19BrN6O/c1-16(2,10-24)22-13-6-14(19-8-11-4-3-5-18-7-11)23-15(21-13)12(17)9-20-23/h3-7,9,19,24H,8,10H2,1-2H3,(H,21,22)
InChIKeySHACQVPGLONZAK-UHFFFAOYSA-N
XLogP2.68
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 89058061
CID 89058061
(2R)-2-amino-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 70806600
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
3-bromo-5-tert-butylsulfanyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067175
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
3-bromo-5-N-[chloro(phenyl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 143441130
[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 157262286
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 58781382
1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-1-ium-1-yl]ethanone
CID 58828967
CID 89365529
CID 89365529
3-bromo-5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;pyridine
CID 143440446

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol (CID 11292240) is 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol?
The InChIKey is SHACQVPGLONZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O/c1-16(2,10-24)22-13-6-14(19-8-11-4-3-5-18-7-11)23-15(21-13)12(17)9-20-23/h3-7,9,19,24H,8,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol?
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol has a molecular weight of 391.27 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 11292240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).