N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C21H27N3O5 — CID 156517499

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(C[C@@H]3CCCO3)cc1CC2
InChIInChI=1S/C21H27N3O5/c1-13-18-17(29-20(13)21(25)22-9-16-12-26-7-8-28-16)5-4-14-10-24(23-19(14)18)11-15-3-2-6-27-15/h10,15-16H,2-9,11-12H2,1H3,(H,22,25)/t15-,16+/m0/s1
InChIKeyJOTXFOUOMHRPID-JKSUJKDBSA-N
MW401.46 g/mol
LogP1.87
Rot. Bonds5

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156517499) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID156517499
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(C[C@@H]3CCCO3)cc1CC2
InChIInChI=1S/C21H27N3O5/c1-13-18-17(29-20(13)21(25)22-9-16-12-26-7-8-28-16)5-4-14-10-24(23-19(14)18)11-15-3-2-6-27-15/h10,15-16H,2-9,11-12H2,1H3,(H,22,25)/t15-,16+/m0/s1
InChIKeyJOTXFOUOMHRPID-JKSUJKDBSA-N
XLogP1.87
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide with MolForge

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Related Compounds

2-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790624
N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-(pyrimidin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517484
8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790657
8-cyclopropyl-2-(1,4-dioxan-2-ylmethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517989
8-(1,1-difluoroethyl)-N,2-bis[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517584
8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517186
2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517880
8-methyl-N-(oxan-2-ylmethyl)-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790615
2-(2,2-difluoro-2-pyridin-2-ylethyl)-8-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517960
N,2-bis[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
CID 156517518
2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790578
9-cyano-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrobenzo[g]indazole-7-carboxamide
CID 171830272

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156517499) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(C[C@@H]3CCCO3)cc1CC2.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is JOTXFOUOMHRPID-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-13-18-17(29-20(13)21(25)22-9-16-12-26-7-8-28-16)5-4-14-10-24(23-19(14)18)11-15-3-2-6-27-15/h10,15-16H,2-9,11-12H2,1H3,(H,22,25)/t15-,16+/m0/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156517499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).