(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

C23H18N4O4 — CID 29135063

IUPAC(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
SMILESCOc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2COC3=O)cc1
InChIInChI=1S/C23H18N4O4/c1-26-17-6-4-3-5-15(17)23(22(26)29)16(11-24)20(25)27(18-12-31-21(28)19(18)23)13-7-9-14(30-2)10-8-13/h3-10H,12,25H2,1-2H3/t23-/m1/s1
InChIKeyGQHAEAVTSBTHGV-HSZRJFAPSA-N
MW414.42 g/mol
LogP1.93
Rot. Bonds2

About (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile

(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile (PubChem CID 29135063) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
PubChem CID29135063
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
SMILESCOc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2COC3=O)cc1
InChIInChI=1S/C23H18N4O4/c1-26-17-6-4-3-5-15(17)23(22(26)29)16(11-24)20(25)27(18-12-31-21(28)19(18)23)13-7-9-14(30-2)10-8-13/h3-10H,12,25H2,1-2H3/t23-/m1/s1
InChIKeyGQHAEAVTSBTHGV-HSZRJFAPSA-N
XLogP1.93
TPSA108.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
CID 7305443
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42559363
2-amino-1'-[(2-chlorophenyl)methyl]-2',5-dioxo-1-phenylspiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 5299176
(4S)-2-amino-1-(4-ethylphenyl)-1'-[(2-fluorophenyl)methyl]-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42584136
2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 4916424
2-amino-1-(3-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 6496468
(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 7230308
(4S)-2-amino-2',5-dioxo-1'-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]spiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42554170
2-amino-1-(3-bromophenyl)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
CID 23917025
(4R)-2-amino-1-(3-chlorophenyl)-1'-[(3-fluorophenyl)methyl]-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 42559617
2-amino-2',5-dioxo-1'-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]spiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 5299363
(6S)-2'-amino-2,4-dimethyl-5-oxo-1'-phenylspiro[pyrrolo[2,3-d][1,3]oxazole-6,4'-quinoline]-3'-carbonitrile
CID 7390035

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The IUPAC name of (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile (CID 29135063) is (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile is COc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2COC3=O)cc1.
What is the InChIKey of (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
The InChIKey is GQHAEAVTSBTHGV-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-26-17-6-4-3-5-15(17)23(22(26)29)16(11-24)20(25)27(18-12-31-21(28)19(18)23)13-7-9-14(30-2)10-8-13/h3-10H,12,25H2,1-2H3/t23-/m1/s1.
What are the key properties of (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile?
(4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile has a molecular weight of 414.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-1-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 29135063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).