methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

C26H29N3O6 — CID 18886376

IUPACmethyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C12C(=O)N(C(C)C)c1ccccc12
InChIInChI=1S/C26H29N3O6/c1-14(2)29-18-10-6-5-9-17(18)26(25(29)32)20-19(35-22(27)21(26)24(31)33-4)12-15(3)28(23(20)30)13-16-8-7-11-34-16/h5-6,9-10,12,14,16H,7-8,11,13,27H2,1-4H3
InChIKeyNAEJXWOOZLOSPN-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.11
Rot. Bonds4

About methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886376) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886376
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Namemethyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C12C(=O)N(C(C)C)c1ccccc12
InChIInChI=1S/C26H29N3O6/c1-14(2)29-18-10-6-5-9-17(18)26(25(29)32)20-19(35-22(27)21(26)24(31)33-4)12-15(3)28(23(20)30)13-16-8-7-11-34-16/h5-6,9-10,12,14,16H,7-8,11,13,27H2,1-4H3
InChIKeyNAEJXWOOZLOSPN-UHFFFAOYSA-N
XLogP2.11
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate with MolForge

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Related Compounds

methyl (3S)-2'-amino-7'-methyl-1-(2-methylpropyl)-2,5'-dioxo-6'-[[(2R)-oxolan-2-yl]methyl]spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 41193935
methyl (3S)-2'-amino-1-ethyl-7'-methyl-2,5'-dioxo-6'-[[(2S)-oxolan-2-yl]methyl]spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 40963595
ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886439
methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886554
methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886336
ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886458
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666516
methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886338
methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886329
methyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-[[(2S)-oxolan-2-yl]methyl]-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41388682
(3R)-2'-amino-7'-methyl-2,5'-dioxo-6'-[[(2S)-oxolan-2-yl]methyl]spiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031851
methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886549

Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886376) is methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C12C(=O)N(C(C)C)c1ccccc12.
What is the InChIKey of methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is NAEJXWOOZLOSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-14(2)29-18-10-6-5-9-17(18)26(25(29)32)20-19(35-22(27)21(26)24(31)33-4)12-15(3)28(23(20)30)13-16-8-7-11-34-16/h5-6,9-10,12,14,16H,7-8,11,13,27H2,1-4H3.
What are the key properties of methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 479.53 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-7'-methyl-2,5'-dioxo-6'-(oxolan-2-ylmethyl)-1-propan-2-ylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).