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

C25H24N6O — CID 10273926

IUPACN-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C25H24N6O/c32-24(17-31-13-3-4-14-31)29-20-8-6-18(7-9-20)23-15-19(10-12-27-23)21-16-28-30-25(21)22-5-1-2-11-26-22/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,30)(H,29,32)
InChIKeyGWRYKIAFDUDRCF-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.24
Rot. Bonds6

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

N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 10273926) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID10273926
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C25H24N6O/c32-24(17-31-13-3-4-14-31)29-20-8-6-18(7-9-20)23-15-19(10-12-27-23)21-16-28-30-25(21)22-5-1-2-11-26-22/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,30)(H,29,32)
InChIKeyGWRYKIAFDUDRCF-UHFFFAOYSA-N
XLogP4.24
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide (CID 10273926) is N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GWRYKIAFDUDRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-24(17-31-13-3-4-14-31)29-20-8-6-18(7-9-20)23-15-19(10-12-27-23)21-16-28-30-25(21)22-5-1-2-11-26-22/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,30)(H,29,32).
What are the key properties of N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide?
N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 424.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 10273926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).