[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate

C28H24N6O3 — CID 91202922

IUPAC[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
SMILESNc1cn(-c2ccc3ccccc3c2)nc1NC(=O)c1ccc(COC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C28H24N6O3/c29-25-17-34(24-12-11-21-5-1-2-6-23(21)14-24)33-26(25)32-27(35)22-9-7-19(8-10-22)18-37-28(36)31-16-20-4-3-13-30-15-20/h1-15,17H,16,18,29H2,(H,31,36)(H,32,33,35)
InChIKeyAATWQPBGMARLNS-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.68
Rot. Bonds7

About [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate

[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate (PubChem CID 91202922) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
PubChem CID91202922
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
SMILESNc1cn(-c2ccc3ccccc3c2)nc1NC(=O)c1ccc(COC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C28H24N6O3/c29-25-17-34(24-12-11-21-5-1-2-6-23(21)14-24)33-26(25)32-27(35)22-9-7-19(8-10-22)18-37-28(36)31-16-20-4-3-13-30-15-20/h1-15,17H,16,18,29H2,(H,31,36)(H,32,33,35)
InChIKeyAATWQPBGMARLNS-UHFFFAOYSA-N
XLogP4.68
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate with MolForge

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Related Compounds

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pyridin-3-ylmethyl N-[[4-[(2-amino-5-pyridin-4-ylphenyl)carbamoyl]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate (CID 91202922) is [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate is Nc1cn(-c2ccc3ccccc3c2)nc1NC(=O)c1ccc(COC(=O)NCc2cccnc2)cc1.
What is the InChIKey of [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is AATWQPBGMARLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c29-25-17-34(24-12-11-21-5-1-2-6-23(21)14-24)33-26(25)32-27(35)22-9-7-19(8-10-22)18-37-28(36)31-16-20-4-3-13-30-15-20/h1-15,17H,16,18,29H2,(H,31,36)(H,32,33,35).
What are the key properties of [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate?
[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 492.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 91202922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).