(3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C24H29N5O2 — CID 10621987

IUPAC(3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1
InChIInChI=1S/C24H29N5O2/c1-2-31-22-8-3-6-20(16-22)24(30)28-14-10-19(11-15-28)17-25-18-21-7-4-9-23(27-21)29-13-5-12-26-29/h3-9,12-13,16,19,25H,2,10-11,14-15,17-18H2,1H3
InChIKeyDLTMKZUVENSPKM-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.31
Rot. Bonds8

About (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10621987) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10621987
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1
InChIInChI=1S/C24H29N5O2/c1-2-31-22-8-3-6-20(16-22)24(30)28-14-10-19(11-15-28)17-25-18-21-7-4-9-23(27-21)29-13-5-12-26-29/h3-9,12-13,16,19,25H,2,10-11,14-15,17-18H2,1H3
InChIKeyDLTMKZUVENSPKM-UHFFFAOYSA-N
XLogP3.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10621987) is (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is CCOc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is DLTMKZUVENSPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-31-22-8-3-6-20(16-22)24(30)28-14-10-19(11-15-28)17-25-18-21-7-4-9-23(27-21)29-13-5-12-26-29/h3-9,12-13,16,19,25H,2,10-11,14-15,17-18H2,1H3.
What are the key properties of (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10621987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).