[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate

C24H24N6O3 — CID 129110815

IUPAC[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(Cc2ccc3cc(Oc4ncc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C24H24N6O3/c25-23(31)32-20-6-9-30(10-7-20)15-16-1-2-18-12-21(4-3-17(18)11-16)33-24-26-13-19(14-27-24)22-5-8-28-29-22/h1-5,8,11-14,20H,6-7,9-10,15H2,(H2,25,31)(H,28,29)
InChIKeyQHLWAENDLNZZRH-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.87
Rot. Bonds6

About [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate

[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate (PubChem CID 129110815) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate
PubChem CID129110815
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(Cc2ccc3cc(Oc4ncc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C24H24N6O3/c25-23(31)32-20-6-9-30(10-7-20)15-16-1-2-18-12-21(4-3-17(18)11-16)33-24-26-13-19(14-27-24)22-5-8-28-29-22/h1-5,8,11-14,20H,6-7,9-10,15H2,(H2,25,31)(H,28,29)
InChIKeyQHLWAENDLNZZRH-UHFFFAOYSA-N
XLogP3.87
TPSA119.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl]-1,3,5-dioxazepane
CID 126602839
5-(1H-pyrazol-5-yl)-2-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]oxypyridine
CID 72950855
(3S)-3-hydroxy-1-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 87055521
[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate
CID 175174460
1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone
CID 72948594
3-hydroxy-1-[1-[[6-[2-methyl-6-(1H-pyrazol-5-yl)cycloocta-1,5,7-trien-1-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 123798833
2-hydroxy-1-[(3R)-3-[methyl-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]amino]pyrrolidin-1-yl]ethanone
CID 87055602
methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone
CID 161371729
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852965
2-hydroxy-1-[4-[[7-[2-methyl-6-(1H-pyrazol-5-yl)cycloocta-1,5,7-trien-1-yl]oxyquinolin-3-yl]methyl]piperazin-1-yl]ethanone
CID 123894079
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate?
The IUPAC name of [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate (CID 129110815) is [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate is NC(=O)OC1CCN(Cc2ccc3cc(Oc4ncc(-c5ccn[nH]5)cn4)ccc3c2)CC1.
What is the InChIKey of [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate?
The InChIKey is QHLWAENDLNZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c25-23(31)32-20-6-9-30(10-7-20)15-16-1-2-18-12-21(4-3-17(18)11-16)33-24-26-13-19(14-27-24)22-5-8-28-29-22/h1-5,8,11-14,20H,6-7,9-10,15H2,(H2,25,31)(H,28,29).
What are the key properties of [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate?
[1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate has a molecular weight of 444.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]oxynaphthalen-2-yl]methyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 129110815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).