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

C24H23N5 — CID 10293214

IUPAC4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)nc1
InChIInChI=1S/C24H23N5/c1-2-11-25-22(5-1)24-21(16-27-28-24)20-10-12-26-23(15-20)19-8-6-18(7-9-19)17-29-13-3-4-14-29/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,27,28)
InChIKeyAHUVEZQNQVASMA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.80
Rot. Bonds5

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

4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine (PubChem CID 10293214) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine
PubChem CID10293214
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)nc1
InChIInChI=1S/C24H23N5/c1-2-11-25-22(5-1)24-21(16-27-28-24)20-10-12-26-23(15-20)19-8-6-18(7-9-19)17-29-13-3-4-14-29/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,27,28)
InChIKeyAHUVEZQNQVASMA-UHFFFAOYSA-N
XLogP4.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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RepSox
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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine?
The IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine (CID 10293214) is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine.
What is the SMILES notation for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine?
The canonical SMILES for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine is c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)nc1.
What is the InChIKey of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine?
The InChIKey is AHUVEZQNQVASMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-2-11-25-22(5-1)24-21(16-27-28-24)20-10-12-26-23(15-20)19-8-6-18(7-9-19)17-29-13-3-4-14-29/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,27,28).
What are the key properties of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine?
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine has a molecular weight of 381.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridine is sourced from PubChem (CID 10293214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).