[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate

C24H29N5O5 — CID 90687518

IUPAC[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
SMILESCOc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(COC(=O)NC(C)(C)C)cc2)cn1
InChIInChI=1S/C24H29N5O5/c1-24(2,3)26-23(31)34-15-16-7-9-17(10-8-16)20-13-19(22(30)28(4)33-6)27-29(20)18-11-12-21(32-5)25-14-18/h7-14H,15H2,1-6H3,(H,26,31)
InChIKeyWBTCAQCUBPCHBH-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.60
Rot. Bonds7

About [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate

[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate (PubChem CID 90687518) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
PubChem CID90687518
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
SMILESCOc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(COC(=O)NC(C)(C)C)cc2)cn1
InChIInChI=1S/C24H29N5O5/c1-24(2,3)26-23(31)34-15-16-7-9-17(10-8-16)20-13-19(22(30)28(4)33-6)27-29(20)18-11-12-21(32-5)25-14-18/h7-14H,15H2,1-6H3,(H,26,31)
InChIKeyWBTCAQCUBPCHBH-UHFFFAOYSA-N
XLogP3.60
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate
CID 91346211
5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 21090968
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]carbamate
CID 123706337
2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
CID 90712631
tert-butyl N-[2-[4-[3-[methoxy(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl]carbamate
CID 58806700
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
CID 91234816
5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 58806815
6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid
CID 23143483
N-ethyl-5-(5-hydroxy-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 135697947
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
CID 21090821
5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 58970542

Frequently Asked Questions

What is the IUPAC name of [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate (CID 90687518) is [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate is COc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(COC(=O)NC(C)(C)C)cc2)cn1.
What is the InChIKey of [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate?
The InChIKey is WBTCAQCUBPCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-24(2,3)26-23(31)34-15-16-7-9-17(10-8-16)20-13-19(22(30)28(4)33-6)27-29(20)18-11-12-21(32-5)25-14-18/h7-14H,15H2,1-6H3,(H,26,31).
What are the key properties of [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate?
[4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate has a molecular weight of 467.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[methoxy(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 90687518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).