(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

C21H23N5O2 — CID 71561503

IUPAC(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2cccnc2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C21H23N5O2/c1-15-19(21(25(2)24-15)28-17-8-6-11-23-14-17)20(27)26-12-4-3-9-18(26)16-7-5-10-22-13-16/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3
InChIKeyCXGKUNMNNORRAM-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.68
Rot. Bonds4

About (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 71561503) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID71561503
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2cccnc2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C21H23N5O2/c1-15-19(21(25(2)24-15)28-17-8-6-11-23-14-17)20(27)26-12-4-3-9-18(26)16-7-5-10-22-13-16/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3
InChIKeyCXGKUNMNNORRAM-UHFFFAOYSA-N
XLogP3.68
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 71561503) is (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1nn(C)c(Oc2cccnc2)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is CXGKUNMNNORRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-19(21(25(2)24-15)28-17-8-6-11-23-14-17)20(27)26-12-4-3-9-18(26)16-7-5-10-22-13-16/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3.
What are the key properties of (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71561503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).