7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C31H26ClN5O7 — CID 121473715

IUPAC7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1cn(CCN2C[C@H](O)[C@@H](O)C2=O)c2cc(Oc3cccnn3)ccc12
InChIInChI=1S/C31H26ClN5O7/c32-19-4-3-17-12-27(22(30(33)41)11-18(17)10-19)43-16-26(39)23-14-36(8-9-37-15-25(38)29(40)31(37)42)24-13-20(5-6-21(23)24)44-28-2-1-7-34-35-28/h1-7,10-14,25,29,38,40H,8-9,15-16H2,(H2,33,41)/t25-,29+/m0/s1
InChIKeyOKPLNOQIHWOUQG-ABYGYWHVSA-N
MW616.03 g/mol
LogP2.95
Rot. Bonds10

About 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473715) has the molecular formula C31H26ClN5O7 and a molecular weight of 616.03 g/mol. Its IUPAC name is 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473715
Molecular FormulaC31H26ClN5O7
Molecular Weight616.03 g/mol
Exact Mass615.15
IUPAC Name7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1cn(CCN2C[C@H](O)[C@@H](O)C2=O)c2cc(Oc3cccnn3)ccc12
InChIInChI=1S/C31H26ClN5O7/c32-19-4-3-17-12-27(22(30(33)41)11-18(17)10-19)43-16-26(39)23-14-36(8-9-37-15-25(38)29(40)31(37)42)24-13-20(5-6-21(23)24)44-28-2-1-7-34-35-28/h1-7,10-14,25,29,38,40H,8-9,15-16H2,(H2,33,41)/t25-,29+/m0/s1
InChIKeyOKPLNOQIHWOUQG-ABYGYWHVSA-N
XLogP2.95
TPSA170.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.03
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-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 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473715) is 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is NC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1cn(CCN2C[C@H](O)[C@@H](O)C2=O)c2cc(Oc3cccnn3)ccc12.
What is the InChIKey of 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is OKPLNOQIHWOUQG-ABYGYWHVSA-N. The full InChI is InChI=1S/C31H26ClN5O7/c32-19-4-3-17-12-27(22(30(33)41)11-18(17)10-19)43-16-26(39)23-14-36(8-9-37-15-25(38)29(40)31(37)42)24-13-20(5-6-21(23)24)44-28-2-1-7-34-35-28/h1-7,10-14,25,29,38,40H,8-9,15-16H2,(H2,33,41)/t25-,29+/m0/s1.
What are the key properties of 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 616.03 g/mol, XLogP of 2.95, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).