N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide

C26H30ClF2N5O3 — CID 143136987

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)CN2CCCC(F)(F)C2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C26H30ClF2N5O3/c1-25(2)14-34(12-17(35)11-33-7-3-5-26(28,29)15-33)22(13-37-25)24(36)32-20-9-16(27)8-19-18-4-6-30-10-21(18)31-23(19)20/h4,6,8-10,22,31H,3,5,7,11-15H2,1-2H3,(H,32,36)
InChIKeyRGQJBESOTHESRZ-UHFFFAOYSA-N
MW534.01 g/mol
LogP4.09
Rot. Bonds6

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 143136987) has the molecular formula C26H30ClF2N5O3 and a molecular weight of 534.01 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide
PubChem CID143136987
Molecular FormulaC26H30ClF2N5O3
Molecular Weight534.01 g/mol
Exact Mass533.20
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)CN2CCCC(F)(F)C2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C26H30ClF2N5O3/c1-25(2)14-34(12-17(35)11-33-7-3-5-26(28,29)15-33)22(13-37-25)24(36)32-20-9-16(27)8-19-18-4-6-30-10-21(18)31-23(19)20/h4,6,8-10,22,31H,3,5,7,11-15H2,1-2H3,(H,32,36)
InChIKeyRGQJBESOTHESRZ-UHFFFAOYSA-N
XLogP4.09
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.01
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide with MolForge

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Related Compounds

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 73041633
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-3-carboxamide
CID 11605463
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 73024625
(3S)-4-[(2S)-2-aminopropyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 67165200
(3S)-4-[(2S)-2-aminopropyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;hydrochloride
CID 67165873
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 72630383
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 67165958
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]morpholine-3-carboxamide
CID 11642221
(3S)-4-(2-acetamidopropyl)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide
CID 91597504
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 68916879
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 67167903
(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
CID 11627804

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide (CID 143136987) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CN(CC(=O)CN2CCCC(F)(F)C2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide?
The InChIKey is RGQJBESOTHESRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClF2N5O3/c1-25(2)14-34(12-17(35)11-33-7-3-5-26(28,29)15-33)22(13-37-25)24(36)32-20-9-16(27)8-19-18-4-6-30-10-21(18)31-23(19)20/h4,6,8-10,22,31H,3,5,7,11-15H2,1-2H3,(H,32,36).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 534.01 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[3-(3,3-difluoropiperidin-1-yl)-2-oxopropyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 143136987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).