N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

C30H35ClF2N6O4 — CID 72630371

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCC(C(=O)N3CCC(F)(F)C3)CC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C30H35ClF2N6O4/c1-29(2)16-39(14-25(40)37-8-4-18(5-9-37)28(42)38-10-6-30(32,33)17-38)24(15-43-29)27(41)36-22-12-19(31)11-21-20-3-7-34-13-23(20)35-26(21)22/h3,7,11-13,18,24,35H,4-6,8-10,14-17H2,1-2H3,(H,36,41)
InChIKeyMKRROVIUBXRQRK-UHFFFAOYSA-N
MW617.10 g/mol
LogP3.89
Rot. Bonds5

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (PubChem CID 72630371) has the molecular formula C30H35ClF2N6O4 and a molecular weight of 617.10 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
PubChem CID72630371
Molecular FormulaC30H35ClF2N6O4
Molecular Weight617.10 g/mol
Exact Mass616.24
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
SMILESCC1(C)CN(CC(=O)N2CCC(C(=O)N3CCC(F)(F)C3)CC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
InChIInChI=1S/C30H35ClF2N6O4/c1-29(2)16-39(14-25(40)37-8-4-18(5-9-37)28(42)38-10-6-30(32,33)17-38)24(15-43-29)27(41)36-22-12-19(31)11-21-20-3-7-34-13-23(20)35-26(21)22/h3,7,11-13,18,24,35H,4-6,8-10,14-17H2,1-2H3,(H,36,41)
InChIKeyMKRROVIUBXRQRK-UHFFFAOYSA-N
XLogP3.89
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.10
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide (CID 72630371) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCC(C(=O)N3CCC(F)(F)C3)CC2)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-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
The InChIKey is MKRROVIUBXRQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClF2N6O4/c1-29(2)16-39(14-25(40)37-8-4-18(5-9-37)28(42)38-10-6-30(32,33)17-38)24(15-43-29)27(41)36-22-12-19(31)11-21-20-3-7-34-13-23(20)35-26(21)22/h3,7,11-13,18,24,35H,4-6,8-10,14-17H2,1-2H3,(H,36,41).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide has a molecular weight of 617.10 g/mol, XLogP of 3.89, 5 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-[2-[4-(3,3-difluoropyrrolidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 72630371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).