N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide

C22H27N5O3S — CID 90620708

IUPACN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc2ncc(CCCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2n1
InChIInChI=1S/C22H27N5O3S/c1-17-14-21-24-15-18(16-27(21)25-17)6-5-11-23-22(28)19-7-9-20(10-8-19)31(29,30)26-12-3-2-4-13-26/h7-10,14-16H,2-6,11-13H2,1H3,(H,23,28)
InChIKeyKPCFLIZRLHWZSZ-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.57
Rot. Bonds7

About N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide

N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 90620708) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID90620708
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc2ncc(CCCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2n1
InChIInChI=1S/C22H27N5O3S/c1-17-14-21-24-15-18(16-27(21)25-17)6-5-11-23-22(28)19-7-9-20(10-8-19)31(29,30)26-12-3-2-4-13-26/h7-10,14-16H,2-6,11-13H2,1H3,(H,23,28)
InChIKeyKPCFLIZRLHWZSZ-UHFFFAOYSA-N
XLogP2.57
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 91814425
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 90620616
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620838
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919223

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide (CID 90620708) is N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide is Cc1cc2ncc(CCCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cn2n1.
What is the InChIKey of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KPCFLIZRLHWZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-17-14-21-24-15-18(16-27(21)25-17)6-5-11-23-22(28)19-7-9-20(10-8-19)31(29,30)26-12-3-2-4-13-26/h7-10,14-16H,2-6,11-13H2,1H3,(H,23,28).
What are the key properties of N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 441.56 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90620708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).