N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide

C28H23N5OS — CID 137115746

IUPACN-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H23N5OS/c1-2-5-27(34)30-19-12-18(15-29-16-19)17-9-10-24-22(13-17)28(33-32-24)25-14-21-20(26-8-4-11-35-26)6-3-7-23(21)31-25/h3-4,6-16,31H,2,5H2,1H3,(H,30,34)(H,32,33)
InChIKeyYVDCTJGBJVBKHA-UHFFFAOYSA-N
MW477.59 g/mol
LogP7.24
Rot. Bonds6

About N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide

N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 137115746) has the molecular formula C28H23N5OS and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
PubChem CID137115746
Molecular FormulaC28H23N5OS
Molecular Weight477.59 g/mol
Exact Mass477.16
IUPAC NameN-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H23N5OS/c1-2-5-27(34)30-19-12-18(15-29-16-19)17-9-10-24-22(13-17)28(33-32-24)25-14-21-20(26-8-4-11-35-26)6-3-7-23(21)31-25/h3-4,6-16,31H,2,5H2,1H3,(H,30,34)(H,32,33)
InChIKeyYVDCTJGBJVBKHA-UHFFFAOYSA-N
XLogP7.24
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 57.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137115257
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137308428
3-methyl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137117025
N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137088538
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137312881
N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113222
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113851
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115556
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137114924
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509495
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116750

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The IUPAC name of N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 137115746) is N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The canonical SMILES for N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The InChIKey is YVDCTJGBJVBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5OS/c1-2-5-27(34)30-19-12-18(15-29-16-19)17-9-10-24-22(13-17)28(33-32-24)25-14-21-20(26-8-4-11-35-26)6-3-7-23(21)31-25/h3-4,6-16,31H,2,5H2,1H3,(H,30,34)(H,32,33).
What are the key properties of N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 477.59 g/mol, XLogP of 7.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137115746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).