N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N5O2 — CID 51935366

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCCC2)cc1
InChIInChI=1S/C23H29N5O2/c1-16-13-17(2)28-22(26-16)20(14-25-28)23(29)24-15-21(27-11-5-4-6-12-27)18-7-9-19(30-3)10-8-18/h7-10,13-14,21H,4-6,11-12,15H2,1-3H3,(H,24,29)/t21-/m0/s1
InChIKeyUYHRGXJAIBWWKC-NRFANRHFSA-N
MW407.52 g/mol
LogP3.31
Rot. Bonds6

About N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 51935366) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID51935366
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCCC2)cc1
InChIInChI=1S/C23H29N5O2/c1-16-13-17(2)28-22(26-16)20(14-25-28)23(29)24-15-21(27-11-5-4-6-12-27)18-7-9-19(30-3)10-8-18/h7-10,13-14,21H,4-6,11-12,15H2,1-3H3,(H,24,29)/t21-/m0/s1
InChIKeyUYHRGXJAIBWWKC-NRFANRHFSA-N
XLogP3.31
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 42943031
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604161
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43051833
2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 166324576
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78842927

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 51935366) is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc([C@H](CNC(=O)c2cnn3c(C)cc(C)nc23)N2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UYHRGXJAIBWWKC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-13-17(2)28-22(26-16)20(14-25-28)23(29)24-15-21(27-11-5-4-6-12-27)18-7-9-19(30-3)10-8-18/h7-10,13-14,21H,4-6,11-12,15H2,1-3H3,(H,24,29)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51935366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).