tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C20H28N4O3 — CID 139422176

IUPACtert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOCc1cnn(CCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)c1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-10-5-6-16-7-8-17(22-18(16)24)9-11-23-13-15(12-21-23)14-26-4/h7-8,12-13H,5-6,9-11,14H2,1-4H3
InChIKeyQCZZZCZPKMCZQF-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.35
Rot. Bonds5

About tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 139422176) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID139422176
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nametert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOCc1cnn(CCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)c1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-10-5-6-16-7-8-17(22-18(16)24)9-11-23-13-15(12-21-23)14-26-4/h7-8,12-13H,5-6,9-11,14H2,1-4H3
InChIKeyQCZZZCZPKMCZQF-UHFFFAOYSA-N
XLogP3.35
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 139422176) is tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COCc1cnn(CCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)c1.
What is the InChIKey of tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is QCZZZCZPKMCZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-10-5-6-16-7-8-17(22-18(16)24)9-11-23-13-15(12-21-23)14-26-4/h7-8,12-13H,5-6,9-11,14H2,1-4H3.
What are the key properties of tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 139422176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).