7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C20H20N4O2 — CID 97389655

IUPAC7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCn1cc(CN2CCc3c(cnc(-c4ccccc4)c3C(=O)O)C2)cn1
InChIInChI=1S/C20H20N4O2/c1-23-11-14(9-22-23)12-24-8-7-17-16(13-24)10-21-19(18(17)20(25)26)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,25,26)
InChIKeyNBEJPIGVSFUKOW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds4

About 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97389655) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97389655
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCn1cc(CN2CCc3c(cnc(-c4ccccc4)c3C(=O)O)C2)cn1
InChIInChI=1S/C20H20N4O2/c1-23-11-14(9-22-23)12-24-8-7-17-16(13-24)10-21-19(18(17)20(25)26)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,25,26)
InChIKeyNBEJPIGVSFUKOW-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid with MolForge

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Related Compounds

3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463640
7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389658
4-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
CID 134806660
6-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910942
3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463619
3-amino-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 165498774
5-(methoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97381908
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463665
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463659
2-phenyl-6-[(1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912229
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97389655) is 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is Cn1cc(CN2CCc3c(cnc(-c4ccccc4)c3C(=O)O)C2)cn1.
What is the InChIKey of 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is NBEJPIGVSFUKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-11-14(9-22-23)12-24-8-7-17-16(13-24)10-21-19(18(17)20(25)26)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12-13H2,1H3,(H,25,26).
What are the key properties of 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97389655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).