N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide

C21H23ClFN5O — CID 46396162

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c2c(N3CCCC(C(=O)NCc4ccc(F)cc4Cl)C3)nccc12
InChIInChI=1S/C21H23ClFN5O/c1-13-17-7-8-24-20(19(17)27(2)26-13)28-9-3-4-15(12-28)21(29)25-11-14-5-6-16(23)10-18(14)22/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,25,29)
InChIKeyKSTYHFGMGXWJBE-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.60
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide (PubChem CID 46396162) has the molecular formula C21H23ClFN5O and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide
PubChem CID46396162
Molecular FormulaC21H23ClFN5O
Molecular Weight415.90 g/mol
Exact Mass415.16
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c2c(N3CCCC(C(=O)NCc4ccc(F)cc4Cl)C3)nccc12
InChIInChI=1S/C21H23ClFN5O/c1-13-17-7-8-24-20(19(17)27(2)26-13)28-9-3-4-15(12-28)21(29)25-11-14-5-6-16(23)10-18(14)22/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,25,29)
InChIKeyKSTYHFGMGXWJBE-UHFFFAOYSA-N
XLogP3.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide (CID 46396162) is N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide is Cc1nn(C)c2c(N3CCCC(C(=O)NCc4ccc(F)cc4Cl)C3)nccc12.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
The InChIKey is KSTYHFGMGXWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5O/c1-13-17-7-8-24-20(19(17)27(2)26-13)28-9-3-4-15(12-28)21(29)25-11-14-5-6-16(23)10-18(14)22/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46396162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).