3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine

C20H23BrN4O3 — CID 163207711

IUPAC3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(CNc2nccc3c2c(Br)nn3C2CCOCC2)c(OC)c1
InChIInChI=1S/C20H23BrN4O3/c1-26-15-4-3-13(17(11-15)27-2)12-23-20-18-16(5-8-22-20)25(24-19(18)21)14-6-9-28-10-7-14/h3-5,8,11,14H,6-7,9-10,12H2,1-2H3,(H,22,23)
InChIKeyKZWCBKSHYXKVMJ-UHFFFAOYSA-N
MW447.33 g/mol
LogP4.17
Rot. Bonds6

About 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine

3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 163207711) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
PubChem CID163207711
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(CNc2nccc3c2c(Br)nn3C2CCOCC2)c(OC)c1
InChIInChI=1S/C20H23BrN4O3/c1-26-15-4-3-13(17(11-15)27-2)12-23-20-18-16(5-8-22-20)25(24-19(18)21)14-6-9-28-10-7-14/h3-5,8,11,14H,6-7,9-10,12H2,1-2H3,(H,22,23)
InChIKeyKZWCBKSHYXKVMJ-UHFFFAOYSA-N
XLogP4.17
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)-3-trimethylstannylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091093
tert-butyl 3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-iodopyrazolo[4,3-c]pyridin-1-yl]azetidine-1-carboxylate
CID 142749837
tert-butyl 4-[4-[(2,4-dimethoxyphenyl)methylamino]-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142515995
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
(3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-[4-(phenylcarbamoyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 146524158
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118559040
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091218
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
3-bromo-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133356772
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686359

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine (CID 163207711) is 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine is COc1ccc(CNc2nccc3c2c(Br)nn3C2CCOCC2)c(OC)c1.
What is the InChIKey of 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is KZWCBKSHYXKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c1-26-15-4-3-13(17(11-15)27-2)12-23-20-18-16(5-8-22-20)25(24-19(18)21)14-6-9-28-10-7-14/h3-5,8,11,14H,6-7,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine?
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 447.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 163207711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).