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

C25H33N5O — CID 92898902

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)N[C@H](C)c4ccc(C)c(C)c4)CC3)c21
InChIInChI=1S/C25H33N5O/c1-6-30-23-22(19(5)28-30)9-12-26-24(23)29-13-10-20(11-14-29)25(31)27-18(4)21-8-7-16(2)17(3)15-21/h7-9,12,15,18,20H,6,10-11,13-14H2,1-5H3,(H,27,31)/t18-/m1/s1
InChIKeyQFAYZZXZAVLBOM-GOSISDBHSA-N
MW419.57 g/mol
LogP4.47
Rot. Bonds5

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

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 92898902) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID92898902
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)N[C@H](C)c4ccc(C)c(C)c4)CC3)c21
InChIInChI=1S/C25H33N5O/c1-6-30-23-22(19(5)28-30)9-12-26-24(23)29-13-10-20(11-14-29)25(31)27-18(4)21-8-7-16(2)17(3)15-21/h7-9,12,15,18,20H,6,10-11,13-14H2,1-5H3,(H,27,31)/t18-/m1/s1
InChIKeyQFAYZZXZAVLBOM-GOSISDBHSA-N
XLogP4.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide
CID 50840161
1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92898904
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]methanone
CID 50840078
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50840215
(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92898998
(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899043
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46766659
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide (CID 92898902) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide is CCn1nc(C)c2ccnc(N3CCC(C(=O)N[C@H](C)c4ccc(C)c(C)c4)CC3)c21.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is QFAYZZXZAVLBOM-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N5O/c1-6-30-23-22(19(5)28-30)9-12-26-24(23)29-13-10-20(11-14-29)25(31)27-18(4)21-8-7-16(2)17(3)15-21/h7-9,12,15,18,20H,6,10-11,13-14H2,1-5H3,(H,27,31)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92898902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).