1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone

C24H27BrN4O2 — CID 163895285

IUPAC1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone
SMILESO=C(CC1CC1)N1CCC(CNc2cc(-c3ccccc3O)cc3c(Br)cnn23)CC1
InChIInChI=1S/C24H27BrN4O2/c25-20-15-27-29-21(20)12-18(19-3-1-2-4-22(19)30)13-23(29)26-14-17-7-9-28(10-8-17)24(31)11-16-5-6-16/h1-4,12-13,15-17,26,30H,5-11,14H2
InChIKeyQFBVJJRDSUZYOX-UHFFFAOYSA-N
MW483.41 g/mol
LogP4.92
Rot. Bonds6

About 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone

1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone (PubChem CID 163895285) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone
PubChem CID163895285
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC Name1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone
SMILESO=C(CC1CC1)N1CCC(CNc2cc(-c3ccccc3O)cc3c(Br)cnn23)CC1
InChIInChI=1S/C24H27BrN4O2/c25-20-15-27-29-21(20)12-18(19-3-1-2-4-22(19)30)13-23(29)26-14-17-7-9-28(10-8-17)24(31)11-16-5-6-16/h1-4,12-13,15-17,26,30H,5-11,14H2
InChIKeyQFBVJJRDSUZYOX-UHFFFAOYSA-N
XLogP4.92
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]-2-cyclohexylethanone
CID 136593962
4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidine-1-carboxamide
CID 21066310
3-bromo-5-(2-chlorophenyl)-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyridin-7-amine
CID 90045993
1-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 21065497
[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 21066293
4-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]sulfonylbenzene-1,2-diol
CID 145499769
CID 136607130
CID 136607130
2-[3-bromo-7-[[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142870570
CID 136633878
CID 136633878
2-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]sulfonyl-5-methylphenol
CID 142871017
[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 21066278
1-[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2-phenylpropan-1-one;ethane
CID 142871505

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone (CID 163895285) is 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone is O=C(CC1CC1)N1CCC(CNc2cc(-c3ccccc3O)cc3c(Br)cnn23)CC1.
What is the InChIKey of 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone?
The InChIKey is QFBVJJRDSUZYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c25-20-15-27-29-21(20)12-18(19-3-1-2-4-22(19)30)13-23(29)26-14-17-7-9-28(10-8-17)24(31)11-16-5-6-16/h1-4,12-13,15-17,26,30H,5-11,14H2.
What are the key properties of 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone?
1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone has a molecular weight of 483.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]methyl]piperidin-1-yl]-2-cyclopropylethanone is sourced from PubChem (CID 163895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).