3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine

C18H22N4S — CID 53191350

IUPAC3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCN(Cc3cccs3)C2)nc2cccnc21
InChIInChI=1S/C18H22N4S/c1-2-9-22-17(20-16-6-3-8-19-18(16)22)14-7-10-21(12-14)13-15-5-4-11-23-15/h3-6,8,11,14H,2,7,9-10,12-13H2,1H3
InChIKeyCXHNTJZBLOSLPN-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.89
Rot. Bonds5

About 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine

3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 53191350) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID53191350
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCN(Cc3cccs3)C2)nc2cccnc21
InChIInChI=1S/C18H22N4S/c1-2-9-22-17(20-16-6-3-8-19-18(16)22)14-7-10-21(12-14)13-15-5-4-11-23-15/h3-6,8,11,14H,2,7,9-10,12-13H2,1H3
InChIKeyCXHNTJZBLOSLPN-UHFFFAOYSA-N
XLogP3.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 53191350) is 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine is CCCn1c(C2CCN(Cc3cccs3)C2)nc2cccnc21.
What is the InChIKey of 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is CXHNTJZBLOSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-2-9-22-17(20-16-6-3-8-19-18(16)22)14-7-10-21(12-14)13-15-5-4-11-23-15/h3-6,8,11,14H,2,7,9-10,12-13H2,1H3.
What are the key properties of 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 326.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 53191350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).