5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine

C18H26N4O — CID 97463731

IUPAC5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC(C)COCc1cncc2c1CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C18H26N4O/c1-14(2)12-23-13-17-8-19-7-16-11-22(5-4-18(16)17)10-15-6-20-21(3)9-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRQJNBYKFTDATJP-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.55
Rot. Bonds6

About 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine

5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463731) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463731
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC(C)COCc1cncc2c1CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C18H26N4O/c1-14(2)12-23-13-17-8-19-7-16-11-22(5-4-18(16)17)10-15-6-20-21(3)9-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRQJNBYKFTDATJP-UHFFFAOYSA-N
XLogP2.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine (CID 97463731) is 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine is CC(C)COCc1cncc2c1CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is RQJNBYKFTDATJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)12-23-13-17-8-19-7-16-11-22(5-4-18(16)17)10-15-6-20-21(3)9-15/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine?
5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 314.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).