4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine

C25H25N5O — CID 10295106

IUPAC4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)nc1
InChIInChI=1S/C25H25N5O/c1-2-11-26-23(5-1)25-22(18-28-29-25)20-10-12-27-24(17-20)19-6-8-21(9-7-19)31-16-15-30-13-3-4-14-30/h1-2,5-12,17-18H,3-4,13-16H2,(H,28,29)
InChIKeyXPTWUFILEBEWQL-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.68
Rot. Bonds7

About 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine

4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine (PubChem CID 10295106) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
PubChem CID10295106
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)nc1
InChIInChI=1S/C25H25N5O/c1-2-11-26-23(5-1)25-22(18-28-29-25)20-10-12-27-24(17-20)19-6-8-21(9-7-19)31-16-15-30-13-3-4-14-30/h1-2,5-12,17-18H,3-4,13-16H2,(H,28,29)
InChIKeyXPTWUFILEBEWQL-UHFFFAOYSA-N
XLogP4.68
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine (CID 10295106) is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine.
What is the SMILES notation for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The canonical SMILES for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine is c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)nc1.
What is the InChIKey of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
The InChIKey is XPTWUFILEBEWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-11-26-23(5-1)25-22(18-28-29-25)20-10-12-27-24(17-20)19-6-8-21(9-7-19)31-16-15-30-13-3-4-14-30/h1-2,5-12,17-18H,3-4,13-16H2,(H,28,29).
What are the key properties of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine?
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine has a molecular weight of 411.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine is sourced from PubChem (CID 10295106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).