2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine

C12H15BrN4 — CID 115614760

IUPAC2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C12H15BrN4/c1-8(13)5-14-6-10-4-11-9(2)16-17(3)12(11)15-7-10/h4,7,14H,1,5-6H2,2-3H3
InChIKeyFRDMYGGGTMMLPR-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.27
Rot. Bonds4

About 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine

2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine (PubChem CID 115614760) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
PubChem CID115614760
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C12H15BrN4/c1-8(13)5-14-6-10-4-11-9(2)16-17(3)12(11)15-7-10/h4,7,14H,1,5-6H2,2-3H3
InChIKeyFRDMYGGGTMMLPR-UHFFFAOYSA-N
XLogP2.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921293
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 60976315
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
CID 63771382
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395
[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358637
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765733

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine (CID 115614760) is 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine?
The InChIKey is FRDMYGGGTMMLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8(13)5-14-6-10-4-11-9(2)16-17(3)12(11)15-7-10/h4,7,14H,1,5-6H2,2-3H3.
What are the key properties of 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine?
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine has a molecular weight of 295.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115614760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).