N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide

C21H24BrN5O — CID 46396164

IUPACN-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c2c(N3CCCC(C(=O)NCc4cccc(Br)c4)C3)nccc12
InChIInChI=1S/C21H24BrN5O/c1-14-18-8-9-23-20(19(18)26(2)25-14)27-10-4-6-16(13-27)21(28)24-12-15-5-3-7-17(22)11-15/h3,5,7-9,11,16H,4,6,10,12-13H2,1-2H3,(H,24,28)
InChIKeyZPFVAOGXEHWSTN-UHFFFAOYSA-N
MW442.36 g/mol
LogP3.57
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide

N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide (PubChem CID 46396164) has the molecular formula C21H24BrN5O and a molecular weight of 442.36 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide
PubChem CID46396164
Molecular FormulaC21H24BrN5O
Molecular Weight442.36 g/mol
Exact Mass441.12
IUPAC NameN-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c2c(N3CCCC(C(=O)NCc4cccc(Br)c4)C3)nccc12
InChIInChI=1S/C21H24BrN5O/c1-14-18-8-9-23-20(19(18)26(2)25-14)27-10-4-6-16(13-27)21(28)24-12-15-5-3-7-17(22)11-15/h3,5,7-9,11,16H,4,6,10,12-13H2,1-2H3,(H,24,28)
InChIKeyZPFVAOGXEHWSTN-UHFFFAOYSA-N
XLogP3.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide (CID 46396164) is N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide is Cc1nn(C)c2c(N3CCCC(C(=O)NCc4cccc(Br)c4)C3)nccc12.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
The InChIKey is ZPFVAOGXEHWSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O/c1-14-18-8-9-23-20(19(18)26(2)25-14)27-10-4-6-16(13-27)21(28)24-12-15-5-3-7-17(22)11-15/h3,5,7-9,11,16H,4,6,10,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide has a molecular weight of 442.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46396164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).