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

C25H27N3O6 — CID 40963595

IUPACmethyl (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
SMILESCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c2ccccc21
InChIInChI=1S/C25H27N3O6/c1-4-27-17-10-6-5-9-16(17)25(24(27)31)19-18(34-21(26)20(25)23(30)32-3)12-14(2)28(22(19)29)13-15-8-7-11-33-15/h5-6,9-10,12,15H,4,7-8,11,13,26H2,1-3H3/t15-,25-/m0/s1
InChIKeyQPWAJARMTBIKQX-MQNRADLISA-N
MW465.51 g/mol
LogP1.72
Rot. Bonds4

About 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

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 (PubChem CID 40963595) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID40963595
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Namemethyl (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
SMILESCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c2ccccc21
InChIInChI=1S/C25H27N3O6/c1-4-27-17-10-6-5-9-16(17)25(24(27)31)19-18(34-21(26)20(25)23(30)32-3)12-14(2)28(22(19)29)13-15-8-7-11-33-15/h5-6,9-10,12,15H,4,7-8,11,13,26H2,1-3H3/t15-,25-/m0/s1
InChIKeyQPWAJARMTBIKQX-MQNRADLISA-N
XLogP1.72
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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 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
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
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-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',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886329
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'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886336
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
methyl (3S)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 7385076
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666516
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is QPWAJARMTBIKQX-MQNRADLISA-N. The full InChI is InChI=1S/C25H27N3O6/c1-4-27-17-10-6-5-9-16(17)25(24(27)31)19-18(34-21(26)20(25)23(30)32-3)12-14(2)28(22(19)29)13-15-8-7-11-33-15/h5-6,9-10,12,15H,4,7-8,11,13,26H2,1-3H3/t15-,25-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 465.51 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 40963595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).