2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine

C29H26N6OS — CID 137117043

IUPAC2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C29H26N6OS/c1-2-8-35(7-1)9-10-36-21-12-20(15-30-16-21)19-5-6-25-23(13-19)29(34-33-25)26-14-22-24(28-4-3-11-37-28)17-31-18-27(22)32-26/h3-6,11-18,32H,1-2,7-10H2,(H,33,34)
InChIKeyYDMQWYSKYUURCD-UHFFFAOYSA-N
MW506.64 g/mol
LogP6.37
Rot. Bonds7

About 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine

2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137117043) has the molecular formula C29H26N6OS and a molecular weight of 506.64 g/mol. Its IUPAC name is 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID137117043
Molecular FormulaC29H26N6OS
Molecular Weight506.64 g/mol
Exact Mass506.19
IUPAC Name2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C29H26N6OS/c1-2-8-35(7-1)9-10-36-21-12-20(15-30-16-21)19-5-6-25-23(13-19)29(34-33-25)26-14-22-24(28-4-3-11-37-28)17-31-18-27(22)32-26/h3-6,11-18,32H,1-2,7-10H2,(H,33,34)
InChIKeyYDMQWYSKYUURCD-UHFFFAOYSA-N
XLogP6.37
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137040058
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 154514473
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 137087816
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137087811
5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137038167
2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137038228
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310678
2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116884
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033375
1-[5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137311409
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137034009
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137117090

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (CID 137117043) is 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is YDMQWYSKYUURCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6OS/c1-2-8-35(7-1)9-10-36-21-12-20(15-30-16-21)19-5-6-25-23(13-19)29(34-33-25)26-14-22-24(28-4-3-11-37-28)17-31-18-27(22)32-26/h3-6,11-18,32H,1-2,7-10H2,(H,33,34).
What are the key properties of 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 506.64 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137117043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).