N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide

C23H28ClN5O3 — CID 50840229

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)c21
InChIInChI=1S/C23H28ClN5O3/c1-5-29-21-16(14(2)27-29)6-9-25-22(21)28-10-7-15(8-11-28)23(30)26-18-12-17(24)19(31-3)13-20(18)32-4/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,26,30)
InChIKeyBLBLRYDKBLCWIN-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.29
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 50840229) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID50840229
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)c21
InChIInChI=1S/C23H28ClN5O3/c1-5-29-21-16(14(2)27-29)6-9-25-22(21)28-10-7-15(8-11-28)23(30)26-18-12-17(24)19(31-3)13-20(18)32-4/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,26,30)
InChIKeyBLBLRYDKBLCWIN-UHFFFAOYSA-N
XLogP4.29
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
CID 50840161
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
CID 92898902
N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53129868
1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92898904
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 50840036
[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50840215
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide (CID 50840229) is N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide is CCn1nc(C)c2ccnc(N3CCC(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)c21.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is BLBLRYDKBLCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-5-29-21-16(14(2)27-29)6-9-25-22(21)28-10-7-15(8-11-28)23(30)26-18-12-17(24)19(31-3)13-20(18)32-4/h6,9,12-13,15H,5,7-8,10-11H2,1-4H3,(H,26,30).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50840229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).