2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C13H16BrN5O — CID 75370275

IUPAC2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1ncc2c1CCCC2Nc1ncc(Br)cn1
InChIInChI=1S/C13H16BrN5O/c14-9-6-15-13(16-7-9)18-11-2-1-3-12-10(11)8-17-19(12)4-5-20/h6-8,11,20H,1-5H2,(H,15,16,18)
InChIKeyCIJSXKSXVTUXAV-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.92
Rot. Bonds4

About 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 75370275) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID75370275
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESOCCn1ncc2c1CCCC2Nc1ncc(Br)cn1
InChIInChI=1S/C13H16BrN5O/c14-9-6-15-13(16-7-9)18-11-2-1-3-12-10(11)8-17-19(12)4-5-20/h6-8,11,20H,1-5H2,(H,15,16,18)
InChIKeyCIJSXKSXVTUXAV-UHFFFAOYSA-N
XLogP1.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

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Related Compounds

(7S)-N-(5-bromopyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 97788787
2-[4-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 56813189
2-[(4R)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 95576092
2-[(4S)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 95576093
[1-(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinyl]methanol
CID 45216602
[1-(5-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinyl]methanol
CID 45219519
2-[4-[(2,6-Dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 51086871
6,7,8,9-Tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol
CID 21019573
2-[(3-Bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 21065701
2-[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 168159941
[1-[(5R)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25378707
[1-[(5S)-5-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25378712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 75370275) is 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is OCCn1ncc2c1CCCC2Nc1ncc(Br)cn1.
What is the InChIKey of 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is CIJSXKSXVTUXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c14-9-6-15-13(16-7-9)18-11-2-1-3-12-10(11)8-17-19(12)4-5-20/h6-8,11,20H,1-5H2,(H,15,16,18).
What are the key properties of 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 338.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 75370275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).