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

C21H32N6O4S — CID 162702253

IUPACN-[(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
SMILESCC(C)(O)c1cc2n(n1)[C@@H](COC1CCN(c3ncccn3)CC1)[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C21H32N6O4S/c1-21(2,28)19-13-15-5-6-17(25-32(3,29)30)18(27(15)24-19)14-31-16-7-11-26(12-8-16)20-22-9-4-10-23-20/h4,9-10,13,16-18,25,28H,5-8,11-12,14H2,1-3H3/t17-,18-/m0/s1
InChIKeyJEEVXALNODPUOG-ROUUACIJSA-N
MW464.59 g/mol
LogP0.99
Rot. Bonds7

About 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

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 (PubChem CID 162702253) has the molecular formula C21H32N6O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID162702253
Molecular FormulaC21H32N6O4S
Molecular Weight464.59 g/mol
Exact Mass464.22
IUPAC NameN-[(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
SMILESCC(C)(O)c1cc2n(n1)[C@@H](COC1CCN(c3ncccn3)CC1)[C@@H](NS(C)(=O)=O)CC2
InChIInChI=1S/C21H32N6O4S/c1-21(2,28)19-13-15-5-6-17(25-32(3,29)30)18(27(15)24-19)14-31-16-7-11-26(12-8-16)20-22-9-4-10-23-20/h4,9-10,13,16-18,25,28H,5-8,11-12,14H2,1-3H3/t17-,18-/m0/s1
InChIKeyJEEVXALNODPUOG-ROUUACIJSA-N
XLogP0.99
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 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-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
N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472018
N-[(3R,4S)-1-pyridin-2-yl-3-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125764
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-[(3R,4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125884
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxylate
CID 146294610
[methanesulfonamido-(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl] piperidine-1-carboxylate
CID 153483534
N-[6-hydroxy-4-[[4-(2-hydroxypropan-2-yl)cyclohexyl]oxymethyl]-7-methyl-2,3,4,6-tetrahydro-1H-quinolizin-3-yl]methanesulfonamide
CID 167208326
N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119161148
N-[(3S)-1-(1-methyl-1,2,4-triazol-3-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 166587250

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)c1cc2n(n1)[C@@H](COC1CCN(c3ncccn3)CC1)[C@@H](NS(C)(=O)=O)CC2.
What is the InChIKey of 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?
The InChIKey is JEEVXALNODPUOG-ROUUACIJSA-N. The full InChI is InChI=1S/C21H32N6O4S/c1-21(2,28)19-13-15-5-6-17(25-32(3,29)30)18(27(15)24-19)14-31-16-7-11-26(12-8-16)20-22-9-4-10-23-20/h4,9-10,13,16-18,25,28H,5-8,11-12,14H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 464.59 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162702253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).