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

C29H25N5OS — CID 137115257

IUPACN-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H25N5OS/c1-2-3-7-28(35)31-21-12-20(15-30-16-21)18-8-9-26-24(13-18)29(34-33-26)27-14-23-22(19-10-11-36-17-19)5-4-6-25(23)32-27/h4-6,8-17,32H,2-3,7H2,1H3,(H,31,35)(H,33,34)
InChIKeyGHFHMJYOPMHQTE-UHFFFAOYSA-N
MW491.62 g/mol
LogP7.63
Rot. Bonds7

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

N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137115257) has the molecular formula C29H25N5OS and a molecular weight of 491.62 g/mol. Its IUPAC name is N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
PubChem CID137115257
Molecular FormulaC29H25N5OS
Molecular Weight491.62 g/mol
Exact Mass491.18
IUPAC NameN-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H25N5OS/c1-2-3-7-28(35)31-21-12-20(15-30-16-21)18-8-9-26-24(13-18)29(34-33-26)27-14-23-22(19-10-11-36-17-19)5-4-6-25(23)32-27/h4-6,8-17,32H,2-3,7H2,1H3,(H,31,35)(H,33,34)
InChIKeyGHFHMJYOPMHQTE-UHFFFAOYSA-N
XLogP7.63
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 57.63
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-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137113851
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115245
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115746
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137308428
N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252669
N-hex-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252067
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137116187
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137041668
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-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137113418
N-[5-[3-(4-pyridin-4-yl-1H-cyclohepta[b]pyrrol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 176530386

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137115257) is N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is GHFHMJYOPMHQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5OS/c1-2-3-7-28(35)31-21-12-20(15-30-16-21)18-8-9-26-24(13-18)29(34-33-26)27-14-23-22(19-10-11-36-17-19)5-4-6-25(23)32-27/h4-6,8-17,32H,2-3,7H2,1H3,(H,31,35)(H,33,34).
What are the key properties of N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 491.62 g/mol, XLogP of 7.63, 7 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-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137115257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).