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

C19H23BrN6O — CID 21065596

IUPAC2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C19H23BrN6O/c1-19(2,27)15-6-4-8-25(15)17-9-16(22-11-13-5-3-7-21-10-13)26-18(24-17)14(20)12-23-26/h3,5,7,9-10,12,15,22,27H,4,6,8,11H2,1-2H3
InChIKeyDGTCORALWGRGBA-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.24
Rot. Bonds5

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

2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 21065596) has the molecular formula C19H23BrN6O and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID21065596
Molecular FormulaC19H23BrN6O
Molecular Weight431.34 g/mol
Exact Mass430.11
IUPAC Name2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C19H23BrN6O/c1-19(2,27)15-6-4-8-25(15)17-9-16(22-11-13-5-3-7-21-10-13)26-18(24-17)14(20)12-23-26/h3,5,7,9-10,12,15,22,27H,4,6,8,11H2,1-2H3
InChIKeyDGTCORALWGRGBA-UHFFFAOYSA-N
XLogP3.24
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Dinaciclib
CID 46926350
(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
2-[(2R)-1-[3-methyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 145989210
3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10043221
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10403564
3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10471927
3-bromo-5-(piperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11303752
2-[1-[3-Ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 16048554
1-(3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl)ethanol
CID 21065569
3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067035
3-bromo-5-piperazin-1-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067053
3-bromo-N5-methyl-N7-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol (CID 21065596) is 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)C1CCCN1c1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is DGTCORALWGRGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN6O/c1-19(2,27)15-6-4-8-25(15)17-9-16(22-11-13-5-3-7-21-10-13)26-18(24-17)14(20)12-23-26/h3,5,7,9-10,12,15,22,27H,4,6,8,11H2,1-2H3.
What are the key properties of 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol?
2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 431.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 21065596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).