[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C19H19N5O2 — CID 110102706

IUPAC[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cc(C2CN(C(=O)c3cc(-c4cccnc4)n[nH]3)CCO2)ccn1
InChIInChI=1S/C19H19N5O2/c1-13-9-14(4-6-21-13)18-12-24(7-8-26-18)19(25)17-10-16(22-23-17)15-3-2-5-20-11-15/h2-6,9-11,18H,7-8,12H2,1H3,(H,22,23)
InChIKeyZZUSQVSNRVXCAI-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.39
Rot. Bonds3

About [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 110102706) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID110102706
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cc(C2CN(C(=O)c3cc(-c4cccnc4)n[nH]3)CCO2)ccn1
InChIInChI=1S/C19H19N5O2/c1-13-9-14(4-6-21-13)18-12-24(7-8-26-18)19(25)17-10-16(22-23-17)15-3-2-5-20-11-15/h2-6,9-11,18H,7-8,12H2,1H3,(H,22,23)
InChIKeyZZUSQVSNRVXCAI-UHFFFAOYSA-N
XLogP2.39
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 110102706) is [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is Cc1cc(C2CN(C(=O)c3cc(-c4cccnc4)n[nH]3)CCO2)ccn1.
What is the InChIKey of [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is ZZUSQVSNRVXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-14(4-6-21-13)18-12-24(7-8-26-18)19(25)17-10-16(22-23-17)15-3-2-5-20-11-15/h2-6,9-11,18H,7-8,12H2,1H3,(H,22,23).
What are the key properties of [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110102706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).