(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one

C25H28N4O3 — CID 92566545

IUPAC(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
SMILESCOc1cccc2c1cc(C(=O)N1C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C1)n2C
InChIInChI=1S/C25H28N4O3/c1-28-20-9-7-10-22(32-2)17(20)14-21(28)24(31)29-15-18(19-8-4-6-13-26-19)25(16-29)12-5-3-11-23(30)27-25/h4,6-10,13-14,18H,3,5,11-12,15-16H2,1-2H3,(H,27,30)/t18-,25+/m0/s1
InChIKeyLSNCEQKCBWIGCN-AVRWGWEMSA-N
MW432.52 g/mol
LogP3.25
Rot. Bonds3

About (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one

(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one (PubChem CID 92566545) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
PubChem CID92566545
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
SMILESCOc1cccc2c1cc(C(=O)N1C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C1)n2C
InChIInChI=1S/C25H28N4O3/c1-28-20-9-7-10-22(32-2)17(20)14-21(28)24(31)29-15-18(19-8-4-6-13-26-19)25(16-29)12-5-3-11-23(30)27-25/h4,6-10,13-14,18H,3,5,11-12,15-16H2,1-2H3,(H,27,30)/t18-,25+/m0/s1
InChIKeyLSNCEQKCBWIGCN-AVRWGWEMSA-N
XLogP3.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The IUPAC name of (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one (CID 92566545) is (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one is COc1cccc2c1cc(C(=O)N1C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C1)n2C.
What is the InChIKey of (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
The InChIKey is LSNCEQKCBWIGCN-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28-20-9-7-10-22(32-2)17(20)14-21(28)24(31)29-15-18(19-8-4-6-13-26-19)25(16-29)12-5-3-11-23(30)27-25/h4,6-10,13-14,18H,3,5,11-12,15-16H2,1-2H3,(H,27,30)/t18-,25+/m0/s1.
What are the key properties of (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one?
(4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one has a molecular weight of 432.52 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(4-methoxy-1-methylindole-2-carbonyl)-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 92566545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).