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

C24H31N3O5 — CID 156517655

IUPAC2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide
SMILESCc1c(C(=O)NCC2CCC(C)O2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CC1)C2
InChIInChI=1S/C24H31N3O5/c1-14-3-4-16(31-14)10-25-23(28)22-15(2)20-19(32-22)9-24(5-6-24)18-12-27(26-21(18)20)11-17-13-29-7-8-30-17/h12,14,16-17H,3-11,13H2,1-2H3,(H,25,28)/t14?,16?,17-/m0/s1
InChIKeyBIXZWMPOZWPNRA-PREGVCBESA-N
MW441.53 g/mol
LogP2.75
Rot. Bonds5

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

2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide (PubChem CID 156517655) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide
PubChem CID156517655
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide
SMILESCc1c(C(=O)NCC2CCC(C)O2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CC1)C2
InChIInChI=1S/C24H31N3O5/c1-14-3-4-16(31-14)10-25-23(28)22-15(2)20-19(32-22)9-24(5-6-24)18-12-27(26-21(18)20)11-17-13-29-7-8-30-17/h12,14,16-17H,3-11,13H2,1-2H3,(H,25,28)/t14?,16?,17-/m0/s1
InChIKeyBIXZWMPOZWPNRA-PREGVCBESA-N
XLogP2.75
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
ethyl 2-(1,4-dioxan-2-ylmethyl)-8-methylspiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxylate
CID 156517365
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-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517499
8-(1,1-difluoroethyl)-2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(1,3-oxazol-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
CID 156517589
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-4-ylmethyl)-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
CID 156790589
8-(1,1-difluoroethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-2-ylmethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
CID 156517598
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
The IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide (CID 156517655) is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide.
What is the SMILES notation for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
The canonical SMILES for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide is Cc1c(C(=O)NCC2CCC(C)O2)oc2c1-c1nn(C[C@H]3COCCO3)cc1C1(CC1)C2.
What is the InChIKey of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
The InChIKey is BIXZWMPOZWPNRA-PREGVCBESA-N. The full InChI is InChI=1S/C24H31N3O5/c1-14-3-4-16(31-14)10-25-23(28)22-15(2)20-19(32-22)9-24(5-6-24)18-12-27(26-21(18)20)11-17-13-29-7-8-30-17/h12,14,16-17H,3-11,13H2,1-2H3,(H,25,28)/t14?,16?,17-/m0/s1.
What are the key properties of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide?
2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-methyl-N-[(5-methyloxolan-2-yl)methyl]spiro[5H-furo[2,3-g]indazole-4,1'-cyclopropane]-7-carboxamide is sourced from PubChem (CID 156517655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).