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

C24H31N5O3 — CID 50840161

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)NCc4ccc(OC)c(OC)c4)CC3)c21
InChIInChI=1S/C24H31N5O3/c1-5-29-22-19(16(2)27-29)8-11-25-23(22)28-12-9-18(10-13-28)24(30)26-15-17-6-7-20(31-3)21(14-17)32-4/h6-8,11,14,18H,5,9-10,12-13,15H2,1-4H3,(H,26,30)
InChIKeyUWSIHPJUEOUODI-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.31
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 50840161) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID50840161
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)NCc4ccc(OC)c(OC)c4)CC3)c21
InChIInChI=1S/C24H31N5O3/c1-5-29-22-19(16(2)27-29)8-11-25-23(22)28-12-9-18(10-13-28)24(30)26-15-17-6-7-20(31-3)21(14-17)32-4/h6-8,11,14,18H,5,9-10,12-13,15H2,1-4H3,(H,26,30)
InChIKeyUWSIHPJUEOUODI-UHFFFAOYSA-N
XLogP3.31
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
CID 50840229
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
CID 92898902
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-[(3,4-dimethoxyphenyl)methyl]-1-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)piperidine-4-carboxamide
CID 45498313
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46326719
N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20889517
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46470684
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127002
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46396137
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]methanone
CID 50840078

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide (CID 50840161) is N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide is CCn1nc(C)c2ccnc(N3CCC(C(=O)NCc4ccc(OC)c(OC)c4)CC3)c21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is UWSIHPJUEOUODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-29-22-19(16(2)27-29)8-11-25-23(22)28-12-9-18(10-13-28)24(30)26-15-17-6-7-20(31-3)21(14-17)32-4/h6-8,11,14,18H,5,9-10,12-13,15H2,1-4H3,(H,26,30).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50840161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).