(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide

C27H32ClN7O4 — CID 11563043

IUPAC(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCC3(CC2)CNC(=O)N3)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C27H32ClN7O4/c1-26(2)15-35(12-22(36)34-7-4-27(5-8-34)14-30-25(38)33-27)21(13-39-26)24(37)32-19-10-16(28)9-18-17-3-6-29-11-20(17)31-23(18)19/h3,6,9-11,21,31H,4-5,7-8,12-15H2,1-2H3,(H,32,37)(H2,30,33,38)/t21-/m0/s1
InChIKeyOHCXHEGURCSGAR-NRFANRHFSA-N
MW554.05 g/mol
LogP2.46
Rot. Bonds4

About (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide

(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide (PubChem CID 11563043) has the molecular formula C27H32ClN7O4 and a molecular weight of 554.05 g/mol. Its IUPAC name is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide
PubChem CID11563043
Molecular FormulaC27H32ClN7O4
Molecular Weight554.05 g/mol
Exact Mass553.22
IUPAC Name(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCC3(CC2)CNC(=O)N3)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C27H32ClN7O4/c1-26(2)15-35(12-22(36)34-7-4-27(5-8-34)14-30-25(38)33-27)21(13-39-26)24(37)32-19-10-16(28)9-18-17-3-6-29-11-20(17)31-23(18)19/h3,6,9-11,21,31H,4-5,7-8,12-15H2,1-2H3,(H,32,37)(H2,30,33,38)/t21-/m0/s1
InChIKeyOHCXHEGURCSGAR-NRFANRHFSA-N
XLogP2.46
TPSA131.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.05
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Mln0415
CID 86630595
Mln-0415
CID 11642049
Morpholine-4-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide
CID 44317865
(3R)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 172444064
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxamide
CID 11226006
(3S)-4-[(2S)-2-acetamidopropyl]-N-(6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 11248543
(3S)-N-(6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[(2S)-2-[(2-methylpyridine-3-carbonyl)amino]propyl]morpholine-3-carboxamide
CID 11489756
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine-3-carboxamide
CID 11519649
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11526467
(3S)-N-(6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide
CID 11569626
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11649104
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11649299

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide (CID 11563043) is (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCC3(CC2)CNC(=O)N3)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.
What is the InChIKey of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is OHCXHEGURCSGAR-NRFANRHFSA-N. The full InChI is InChI=1S/C27H32ClN7O4/c1-26(2)15-35(12-22(36)34-7-4-27(5-8-34)14-30-25(38)33-27)21(13-39-26)24(37)32-19-10-16(28)9-18-17-3-6-29-11-20(17)31-23(18)19/h3,6,9-11,21,31H,4-5,7-8,12-15H2,1-2H3,(H,32,37)(H2,30,33,38)/t21-/m0/s1.
What are the key properties of (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 554.05 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 11563043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).