ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

C25H27N3O5 — CID 18886458

IUPACethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)n(CC)c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C25H27N3O5/c1-4-27-14(3)12-18-19(22(27)29)25(20(21(26)33-18)23(30)32-5-2)16-8-6-7-9-17(16)28(24(25)31)13-15-10-11-15/h6-9,12,15H,4-5,10-11,13,26H2,1-3H3
InChIKeyHCDZELQFMKCKEP-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886458) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886458
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Nameethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)n(CC)c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C25H27N3O5/c1-4-27-14(3)12-18-19(22(27)29)25(20(21(26)33-18)23(30)32-5-2)16-8-6-7-9-17(16)28(24(25)31)13-15-10-11-15/h6-9,12,15H,4-5,10-11,13,26H2,1-3H3
InChIKeyHCDZELQFMKCKEP-UHFFFAOYSA-N
XLogP2.35
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate with MolForge

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Related Compounds

ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
CID 18886428
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
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 (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
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
ethyl 2'-amino-1-[(2-chlorophenyl)methyl]-6',7'-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886445
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-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886336
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
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-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886338

Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886458) is ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)n(CC)c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is HCDZELQFMKCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-4-27-14(3)12-18-19(22(27)29)25(20(21(26)33-18)23(30)32-5-2)16-8-6-7-9-17(16)28(24(25)31)13-15-10-11-15/h6-9,12,15H,4-5,10-11,13,26H2,1-3H3.
What are the key properties of ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).