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

C25H24N6OS — CID 137040058

IUPAC2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1csc(-c2cncc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)c1
InChIInChI=1S/C25H24N6OS/c1-2-6-31(5-1)7-8-32-18-10-17(13-26-14-18)21-12-23(30-29-21)22-11-19-20(25-4-3-9-33-25)15-27-16-24(19)28-22/h3-4,9-16,28H,1-2,5-8H2,(H,29,30)
InChIKeyUTGVYYUVGVDQJS-UHFFFAOYSA-N
MW456.58 g/mol
LogP5.22
Rot. Bonds7

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

2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 137040058) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID137040058
Molecular FormulaC25H24N6OS
Molecular Weight456.58 g/mol
Exact Mass456.17
IUPAC Name2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESc1csc(-c2cncc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)c1
InChIInChI=1S/C25H24N6OS/c1-2-6-31(5-1)7-8-32-18-10-17(13-26-14-18)21-12-23(30-29-21)22-11-19-20(25-4-3-9-33-25)15-27-16-24(19)28-22/h3-4,9-16,28H,1-2,5-8H2,(H,29,30)
InChIKeyUTGVYYUVGVDQJS-UHFFFAOYSA-N
XLogP5.22
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
CID 137114557
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
CID 137040605
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137312054
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
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056958
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-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137087635
5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine
CID 126535141
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-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137112049

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 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) is 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is c1csc(-c2cncc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)c1.
What is the InChIKey of 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is UTGVYYUVGVDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c1-2-6-31(5-1)7-8-32-18-10-17(13-26-14-18)21-12-23(30-29-21)22-11-19-20(25-4-3-9-33-25)15-27-16-24(19)28-22/h3-4,9-16,28H,1-2,5-8H2,(H,29,30).
What are the key properties of 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine?
2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 456.58 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 137040058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).