N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide

C21H31FN6O3S — CID 162345936

IUPACN-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
SMILESCCc1cc2n(n1)[C@@H](COC1CCN(c3ncc(F)c(C)n3)CC1)[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C21H31FN6O3S/c1-4-15-11-16-5-6-19(26-32(3,29)30)20(28(16)25-15)13-31-17-7-9-27(10-8-17)21-23-12-18(22)14(2)24-21/h11-12,17,19-20,26H,4-10,13H2,1-3H3/t19-,20-/m0/s1
InChIKeyFGZVCMVIIKQGML-PMACEKPBSA-N
MW466.58 g/mol
LogP1.77
Rot. Bonds7

About N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide

N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide (PubChem CID 162345936) has the molecular formula C21H31FN6O3S and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
PubChem CID162345936
Molecular FormulaC21H31FN6O3S
Molecular Weight466.58 g/mol
Exact Mass466.22
IUPAC NameN-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
SMILESCCc1cc2n(n1)[C@@H](COC1CCN(c3ncc(F)c(C)n3)CC1)[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C21H31FN6O3S/c1-4-15-11-16-5-6-19(26-32(3,29)30)20(28(16)25-15)13-31-17-7-9-27(10-8-17)21-23-12-18(22)14(2)24-21/h11-12,17,19-20,26H,4-10,13H2,1-3H3/t19-,20-/m0/s1
InChIKeyFGZVCMVIIKQGML-PMACEKPBSA-N
XLogP1.77
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide with MolForge

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Related Compounds

N-[(6S,7R)-2-propan-2-yl-7-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 151910912
N-[(6S,7R)-2-(2-hydroxypropan-2-yl)-7-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 162702253
N-[3-bromo-2-ethyl-7-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 162702261
methyl (2R,3S)-3-(methanesulfonamido)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 130310231
N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472018
1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471
N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83185179
N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167344763
N-[7-methyl-6-oxo-4-[(4-propoxycyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167208341
ethane;1-(5-fluoro-4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 144625422
N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 118640013
N-[(3R,4S)-1-pyridin-2-yl-3-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125764

Frequently Asked Questions

What is the IUPAC name of N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
The IUPAC name of N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide (CID 162345936) is N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
The canonical SMILES for N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide is CCc1cc2n(n1)[C@@H](COC1CCN(c3ncc(F)c(C)n3)CC1)[C@@H](NS(C)(=O)=O)CC2.
What is the InChIKey of N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
The InChIKey is FGZVCMVIIKQGML-PMACEKPBSA-N. The full InChI is InChI=1S/C21H31FN6O3S/c1-4-15-11-16-5-6-19(26-32(3,29)30)20(28(16)25-15)13-31-17-7-9-27(10-8-17)21-23-12-18(22)14(2)24-21/h11-12,17,19-20,26H,4-10,13H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide?
N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 466.58 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,7R)-2-ethyl-7-[[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 162345936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).