N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide

C20H23N5O — CID 167852544

IUPACN-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide
SMILESCc1cc2nccc(NC(=O)c3cccc(CN4CCCCC4)c3)n2n1
InChIInChI=1S/C20H23N5O/c1-15-12-19-21-9-8-18(25(19)23-15)22-20(26)17-7-5-6-16(13-17)14-24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,26)
InChIKeyMGCNMJZGXMAGSG-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.28
Rot. Bonds4

About N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide

N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide (PubChem CID 167852544) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide
PubChem CID167852544
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide
SMILESCc1cc2nccc(NC(=O)c3cccc(CN4CCCCC4)c3)n2n1
InChIInChI=1S/C20H23N5O/c1-15-12-19-21-9-8-18(25(19)23-15)22-20(26)17-7-5-6-16(13-17)14-24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,26)
InChIKeyMGCNMJZGXMAGSG-UHFFFAOYSA-N
XLogP3.28
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52730864
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119516230
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
CID 175015464
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide (CID 167852544) is N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide is Cc1cc2nccc(NC(=O)c3cccc(CN4CCCCC4)c3)n2n1.
What is the InChIKey of N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide?
The InChIKey is MGCNMJZGXMAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-12-19-21-9-8-18(25(19)23-15)22-20(26)17-7-5-6-16(13-17)14-24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,26).
What are the key properties of N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide?
N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 167852544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).