tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate

C24H30N6O3 — CID 138605024

IUPACtert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCC(NC(=O)OC(C)(C)C)CC4)ncc3cn2)cn1
InChIInChI=1S/C24H30N6O3/c1-24(2,3)33-23(32)28-19-7-5-15(6-8-19)22(31)29-21-10-16-9-20(18-13-27-30(4)14-18)25-11-17(16)12-26-21/h9-15,19H,5-8H2,1-4H3,(H,28,32)(H,26,29,31)
InChIKeyLYQJKERGCUETDW-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate

tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate (PubChem CID 138605024) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate
PubChem CID138605024
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Nametert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCC(NC(=O)OC(C)(C)C)CC4)ncc3cn2)cn1
InChIInChI=1S/C24H30N6O3/c1-24(2,3)33-23(32)28-19-7-5-15(6-8-19)22(31)29-21-10-16-9-20(18-13-27-30(4)14-18)25-11-17(16)12-26-21/h9-15,19H,5-8H2,1-4H3,(H,28,32)(H,26,29,31)
InChIKeyLYQJKERGCUETDW-UHFFFAOYSA-N
XLogP4.05
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate with MolForge

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Related Compounds

4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138586982
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138589903
3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 138588848
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate (CID 138605024) is tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate is Cn1cc(-c2cc3cc(NC(=O)C4CCC(NC(=O)OC(C)(C)C)CC4)ncc3cn2)cn1.
What is the InChIKey of tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate?
The InChIKey is LYQJKERGCUETDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-24(2,3)33-23(32)28-19-7-5-15(6-8-19)22(31)29-21-10-16-9-20(18-13-27-30(4)14-18)25-11-17(16)12-26-21/h9-15,19H,5-8H2,1-4H3,(H,28,32)(H,26,29,31).
What are the key properties of tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate?
tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 450.54 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 138605024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).