(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone

C24H29N5O3 — CID 45230539

IUPAC(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC
InChIInChI=1S/C24H29N5O3/c1-4-17-9-7-8-14-28(17)23(30)19-15-26-29(21(19)16-31-2)24-25-13-12-20(27-24)18-10-5-6-11-22(18)32-3/h5-6,10-13,15,17H,4,7-9,14,16H2,1-3H3
InChIKeyLYMOFICFGSMMEF-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.89
Rot. Bonds7

About (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone

(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone (PubChem CID 45230539) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
PubChem CID45230539
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC
InChIInChI=1S/C24H29N5O3/c1-4-17-9-7-8-14-28(17)23(30)19-15-26-29(21(19)16-31-2)24-25-13-12-20(27-24)18-10-5-6-11-22(18)32-3/h5-6,10-13,15,17H,4,7-9,14,16H2,1-3H3
InChIKeyLYMOFICFGSMMEF-UHFFFAOYSA-N
XLogP3.89
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 45166845
[3-(diethylamino)pyrrolidin-1-yl]-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45240739
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 26342975
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 26399593
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
N-(furan-2-ylmethyl)-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26340828
5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26345059
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26404737
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45182383
[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 2034209
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45167259
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone (CID 45230539) is (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone is CCC1CCCCN1C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone?
The InChIKey is LYMOFICFGSMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-17-9-7-8-14-28(17)23(30)19-15-26-29(21(19)16-31-2)24-25-13-12-20(27-24)18-10-5-6-11-22(18)32-3/h5-6,10-13,15,17H,4,7-9,14,16H2,1-3H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone has a molecular weight of 435.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone is sourced from PubChem (CID 45230539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).