(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C17H28N4O3 — CID 146110932

IUPAC(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCCN3CCC(O)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C17H28N4O3/c1-11-10-14-15(19-20(3)16(14)12(2)24-11)17(23)18-6-9-21-7-4-13(22)5-8-21/h11-13,22H,4-10H2,1-3H3,(H,18,23)/t11-,12+/m1/s1
InChIKeyUVBVERCJALNJNM-NEPJUHHUSA-N
MW336.44 g/mol
LogP0.63
Rot. Bonds4

About (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146110932) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146110932
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCCN3CCC(O)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C17H28N4O3/c1-11-10-14-15(19-20(3)16(14)12(2)24-11)17(23)18-6-9-21-7-4-13(22)5-8-21/h11-13,22H,4-10H2,1-3H3,(H,18,23)/t11-,12+/m1/s1
InChIKeyUVBVERCJALNJNM-NEPJUHHUSA-N
XLogP0.63
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110823
(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110793
(5S,7R)-N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110950
(5S,7R)-1,5,7-trimethyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101233
(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146111181
(5R,7S)-1,5,7-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113712
4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101443
(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113494
[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111105
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110924
(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 167795253
[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111095

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146110932) is (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCCN3CCC(O)CC3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is UVBVERCJALNJNM-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11-10-14-15(19-20(3)16(14)12(2)24-11)17(23)18-6-9-21-7-4-13(22)5-8-21/h11-13,22H,4-10H2,1-3H3,(H,18,23)/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146110932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).