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

C26H21FN4O3 — CID 18886508

IUPAC2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)C1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C26H21FN4O3/c1-3-30-15(2)12-21-22(24(30)32)26(18(13-28)23(29)34-21)17-9-5-7-11-20(17)31(25(26)33)14-16-8-4-6-10-19(16)27/h4-12H,3,14,29H2,1-2H3
InChIKeyPKMZKRRDQBXVQH-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.23
Rot. Bonds3

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

2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile (PubChem CID 18886508) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
PubChem CID18886508
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCCn1c(C)cc2c(c1=O)C1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C26H21FN4O3/c1-3-30-15(2)12-21-22(24(30)32)26(18(13-28)23(29)34-21)17-9-5-7-11-20(17)31(25(26)33)14-16-8-4-6-10-19(16)27/h4-12H,3,14,29H2,1-2H3
InChIKeyPKMZKRRDQBXVQH-UHFFFAOYSA-N
XLogP3.23
TPSA101.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 18886520
(3S)-2'-amino-1-[(2-chlorophenyl)methyl]-6',7'-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41194033
2'-amino-1-[(3-fluorophenyl)methyl]-7'-methyl-2,5'-dioxo-6'-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 18886564
(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031849
(3R)-2'-amino-1-butyl-6',7'-dimethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 7353839
2-amino-7-methyl-1'-[(4-methylphenyl)methyl]-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
CID 18886476
ethyl 2'-amino-1-(cyclopropylmethyl)-6'-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 18886458
2-amino-7-methyl-1'-(2-methylpropyl)-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carbonitrile
CID 18886471
(3S)-2'-amino-1-[(3,4-dichlorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
CID 51566995
(3R)-2'-amino-7'-methyl-2,5'-dioxo-6'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 40714268
(4S)-6-amino-1'-ethyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 942983
(3S)-2'-amino-6'-(furan-2-ylmethyl)-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 40963609

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The IUPAC name of 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile (CID 18886508) is 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The canonical SMILES for 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile is CCn1c(C)cc2c(c1=O)C1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The InChIKey is PKMZKRRDQBXVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-3-30-15(2)12-21-22(24(30)32)26(18(13-28)23(29)34-21)17-9-5-7-11-20(17)31(25(26)33)14-16-8-4-6-10-19(16)27/h4-12H,3,14,29H2,1-2H3.
What are the key properties of 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile has a molecular weight of 456.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6'-ethyl-1-[(2-fluorophenyl)methyl]-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile is sourced from PubChem (CID 18886508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).