(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol

C19H23BrN6O — CID 71129442

IUPAC(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol
SMILESCC1C[C@H]1[C@@H](CO)N(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C19H23BrN6O/c1-12-6-14(12)16(11-27)25(2)18-7-17(22-9-13-4-3-5-21-8-13)26-19(24-18)15(20)10-23-26/h3-5,7-8,10,12,14,16,22,27H,6,9,11H2,1-2H3/t12?,14-,16-/m1/s1
InChIKeyVMRSQDQVEZKPTL-DTQDAUPPSA-N
MW431.34 g/mol
LogP2.95
Rot. Bonds7

About (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol

(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol (PubChem CID 71129442) has the molecular formula C19H23BrN6O and a molecular weight of 431.34 g/mol. Its IUPAC name is (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol.

Molecular Properties

Compound Name(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol
PubChem CID71129442
Molecular FormulaC19H23BrN6O
Molecular Weight431.34 g/mol
Exact Mass430.11
IUPAC Name(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol
SMILESCC1C[C@H]1[C@@H](CO)N(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C19H23BrN6O/c1-12-6-14(12)16(11-27)25(2)18-7-17(22-9-13-4-3-5-21-8-13)26-19(24-18)15(20)10-23-26/h3-5,7-8,10,12,14,16,22,27H,6,9,11H2,1-2H3/t12?,14-,16-/m1/s1
InChIKeyVMRSQDQVEZKPTL-DTQDAUPPSA-N
XLogP2.95
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol 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

(2R)-2-amino-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 70806600
3-bromo-5-tert-butylsulfanyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067175
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 58781382
[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
5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067044
3-bromo-5-(1-methylsulfanylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142870415
3-bromo-5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090567
1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-1-ium-1-yl]ethanone
CID 58828967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol?
The IUPAC name of (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol (CID 71129442) is (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol.
What is the SMILES notation for (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol?
The canonical SMILES for (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol is CC1C[C@H]1[C@@H](CO)N(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol?
The InChIKey is VMRSQDQVEZKPTL-DTQDAUPPSA-N. The full InChI is InChI=1S/C19H23BrN6O/c1-12-6-14(12)16(11-27)25(2)18-7-17(22-9-13-4-3-5-21-8-13)26-19(24-18)15(20)10-23-26/h3-5,7-8,10,12,14,16,22,27H,6,9,11H2,1-2H3/t12?,14-,16-/m1/s1.
What are the key properties of (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol?
(2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol has a molecular weight of 431.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-2-[(1R)-2-methylcyclopropyl]ethanol is sourced from PubChem (CID 71129442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).