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

C20H23N5O — CID 97463835

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCn1cc(CN2CCc3c(COCc4ccncc4)cncc3C2)cn1
InChIInChI=1S/C20H23N5O/c1-24-11-17(8-23-24)12-25-7-4-20-18(13-25)9-22-10-19(20)15-26-14-16-2-5-21-6-3-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3
InChIKeyNGXUQHFLXSGNJX-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.49
Rot. Bonds6

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

2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463835) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463835
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCn1cc(CN2CCc3c(COCc4ccncc4)cncc3C2)cn1
InChIInChI=1S/C20H23N5O/c1-24-11-17(8-23-24)12-25-7-4-20-18(13-25)9-22-10-19(20)15-26-14-16-2-5-21-6-3-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3
InChIKeyNGXUQHFLXSGNJX-UHFFFAOYSA-N
XLogP2.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97463835) is 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is Cn1cc(CN2CCc3c(COCc4ccncc4)cncc3C2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is NGXUQHFLXSGNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-11-17(8-23-24)12-25-7-4-20-18(13-25)9-22-10-19(20)15-26-14-16-2-5-21-6-3-16/h2-3,5-6,8-11H,4,7,12-15H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 349.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).