[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone

C24H21N5O — CID 11682680

IUPAC[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)N1CCCC1
InChIInChI=1S/C24H21N5O/c30-24(29-13-3-4-14-29)18-8-6-17(7-9-18)22-15-19(10-12-26-22)20-16-27-28-23(20)21-5-1-2-11-25-21/h1-2,5-12,15-16H,3-4,13-14H2,(H,27,28)
InChIKeyXYOXPSRJMKQTOQ-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.44
Rot. Bonds4

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

[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 11682680) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID11682680
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)N1CCCC1
InChIInChI=1S/C24H21N5O/c30-24(29-13-3-4-14-29)18-8-6-17(7-9-18)22-15-19(10-12-26-22)20-16-27-28-23(20)21-5-1-2-11-25-21/h1-2,5-12,15-16H,3-4,13-14H2,(H,27,28)
InChIKeyXYOXPSRJMKQTOQ-UHFFFAOYSA-N
XLogP4.44
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone (CID 11682680) is [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)N1CCCC1.
What is the InChIKey of [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XYOXPSRJMKQTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(29-13-3-4-14-29)18-8-6-17(7-9-18)22-15-19(10-12-26-22)20-16-27-28-23(20)21-5-1-2-11-25-21/h1-2,5-12,15-16H,3-4,13-14H2,(H,27,28).
What are the key properties of [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 395.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11682680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).