(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C17H26N4O2 — CID 146101370

IUPAC(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CC(N4CCCC4)C3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C17H26N4O2/c1-11-8-14-15(18-19(3)16(14)12(2)23-11)17(22)21-9-13(10-21)20-6-4-5-7-20/h11-13H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyZIOAJRNUSFBRFW-NEPJUHHUSA-N
MW318.42 g/mol
LogP1.36
Rot. Bonds2

About (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146101370) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146101370
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CC(N4CCCC4)C3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C17H26N4O2/c1-11-8-14-15(18-19(3)16(14)12(2)23-11)17(22)21-9-13(10-21)20-6-4-5-7-20/h11-13H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyZIOAJRNUSFBRFW-NEPJUHHUSA-N
XLogP1.36
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Related Compounds

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
[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
(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101185
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111023
[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
(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
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101131
[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
(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
1-[(5S,7R)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]-N-methylazetidine-3-carboxamide
CID 146110802
(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110793
(5R,7S)-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110823

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146101370) is (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CC(N4CCCC4)C3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is ZIOAJRNUSFBRFW-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-8-14-15(18-19(3)16(14)12(2)23-11)17(22)21-9-13(10-21)20-6-4-5-7-20/h11-13H,4-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146101370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).