morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone

C24H21N5O2 — CID 10158539

IUPACmorpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)N1CCOCC1
InChIInChI=1S/C24H21N5O2/c30-24(29-11-13-31-14-12-29)18-6-4-17(5-7-18)22-15-19(8-10-26-22)20-16-27-28-23(20)21-3-1-2-9-25-21/h1-10,15-16H,11-14H2,(H,27,28)
InChIKeyQNHAITJWPXBVCD-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.67
Rot. Bonds4

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

morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone (PubChem CID 10158539) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone
PubChem CID10158539
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Namemorpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)N1CCOCC1
InChIInChI=1S/C24H21N5O2/c30-24(29-11-13-31-14-12-29)18-6-4-17(5-7-18)22-15-19(8-10-26-22)20-16-27-28-23(20)21-3-1-2-9-25-21/h1-10,15-16H,11-14H2,(H,27,28)
InChIKeyQNHAITJWPXBVCD-UHFFFAOYSA-N
XLogP3.67
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone (CID 10158539) is morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone is O=C(c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone?
The InChIKey is QNHAITJWPXBVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-24(29-11-13-31-14-12-29)18-6-4-17(5-7-18)22-15-19(8-10-26-22)20-16-27-28-23(20)21-3-1-2-9-25-21/h1-10,15-16H,11-14H2,(H,27,28).
What are the key properties of morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone?
morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone has a molecular weight of 411.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methanone is sourced from PubChem (CID 10158539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).