N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide

C25H33N3O6 — CID 156517566

IUPACN-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide
SMILESCc1c(C(=O)NCC2COCC(C)(C)O2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CC1)C2
InChIInChI=1S/C25H33N3O6/c1-15-20-19(33-22(15)23(29)26-9-16-12-31-14-24(2,3)34-16)8-25(4-5-25)18-11-28(27-21(18)20)10-17-13-30-6-7-32-17/h11,16-17H,4-10,12-14H2,1-3H3,(H,26,29)/t16?,17-/m0/s1
InChIKeyWFXLTSMHRCXRON-DJNXLDHESA-N
MW471.55 g/mol
LogP2.38
Rot. Bonds5

About N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide

N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide (PubChem CID 156517566) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide.

Molecular Properties

Compound NameN-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide
PubChem CID156517566
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC NameN-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide
SMILESCc1c(C(=O)NCC2COCC(C)(C)O2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CC1)C2
InChIInChI=1S/C25H33N3O6/c1-15-20-19(33-22(15)23(29)26-9-16-12-31-14-24(2,3)34-16)8-25(4-5-25)18-11-28(27-21(18)20)10-17-13-30-6-7-32-17/h11,16-17H,4-10,12-14H2,1-3H3,(H,26,29)/t16?,17-/m0/s1
InChIKeyWFXLTSMHRCXRON-DJNXLDHESA-N
XLogP2.38
TPSA96.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
The IUPAC name of N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide (CID 156517566) is N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide.
What is the SMILES notation for N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
The canonical SMILES for N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide is Cc1c(C(=O)NCC2COCC(C)(C)O2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CC1)C2.
What is the InChIKey of N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
The InChIKey is WFXLTSMHRCXRON-DJNXLDHESA-N. The full InChI is InChI=1S/C25H33N3O6/c1-15-20-19(33-22(15)23(29)26-9-16-12-31-14-24(2,3)34-16)8-25(4-5-25)18-11-28(27-21(18)20)10-17-13-30-6-7-32-17/h11,16-17H,4-10,12-14H2,1-3H3,(H,26,29)/t16?,17-/m0/s1.
What are the key properties of N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-1,4-dioxan-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide is sourced from PubChem (CID 156517566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).