3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C26H21ClN8S — CID 137109856

IUPAC3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESClc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)nc23)s1
InChIInChI=1S/C26H21ClN8S/c27-22-6-5-21(36-22)17-12-29-13-20-23(17)32-26(31-20)25-24-19(33-34-25)4-3-18(30-24)16-9-15(10-28-11-16)14-35-7-1-2-8-35/h3-6,9-13H,1-2,7-8,14H2,(H,31,32)(H,33,34)
InChIKeyVXWICIIRTUXNSE-UHFFFAOYSA-N
MW513.03 g/mol
LogP5.94
Rot. Bonds5

About 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109856) has the molecular formula C26H21ClN8S and a molecular weight of 513.03 g/mol. Its IUPAC name is 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID137109856
Molecular FormulaC26H21ClN8S
Molecular Weight513.03 g/mol
Exact Mass512.13
IUPAC Name3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESClc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)nc23)s1
InChIInChI=1S/C26H21ClN8S/c27-22-6-5-21(36-22)17-12-29-13-20-23(17)32-26(31-20)25-24-19(33-34-25)4-3-18(30-24)16-9-15(10-28-11-16)14-35-7-1-2-8-35/h3-6,9-13H,1-2,7-8,14H2,(H,31,32)(H,33,34)
InChIKeyVXWICIIRTUXNSE-UHFFFAOYSA-N
XLogP5.94
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.03
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137109856) is 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is Clc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)nc23)s1.
What is the InChIKey of 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is VXWICIIRTUXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN8S/c27-22-6-5-21(36-22)17-12-29-13-20-23(17)32-26(31-20)25-24-19(33-34-25)4-3-18(30-24)16-9-15(10-28-11-16)14-35-7-1-2-8-35/h3-6,9-13H,1-2,7-8,14H2,(H,31,32)(H,33,34).
What are the key properties of 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 513.03 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).