1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid

C19H22N4O3 — CID 134512877

IUPAC1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
SMILESCc1nc2ncccc2cc1Cn1cc(C(=O)O)c(COC(C)(C)C)n1
InChIInChI=1S/C19H22N4O3/c1-12-14(8-13-6-5-7-20-17(13)21-12)9-23-10-15(18(24)25)16(22-23)11-26-19(2,3)4/h5-8,10H,9,11H2,1-4H3,(H,24,25)
InChIKeyPSRJPSMXUOTVLT-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid

1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid (PubChem CID 134512877) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
PubChem CID134512877
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
SMILESCc1nc2ncccc2cc1Cn1cc(C(=O)O)c(COC(C)(C)C)n1
InChIInChI=1S/C19H22N4O3/c1-12-14(8-13-6-5-7-20-17(13)21-12)9-23-10-15(18(24)25)16(22-23)11-26-19(2,3)4/h5-8,10H,9,11H2,1-4H3,(H,24,25)
InChIKeyPSRJPSMXUOTVLT-UHFFFAOYSA-N
XLogP3.20
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
CID 139422177
1-[[4-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxylic acid
CID 142600883
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
CID 50970090
3-methyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 63274913
1-[(2-bromophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
CID 63276661
ethyl (3S)-3-(6-methoxy-3-pyridinyl)-3-[6-[(2-methyl-1,8-naphthyridin-3-yl)methyl]indazol-2-yl]propanoate
CID 139423396
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
(1S,2S,4R,5R)-4-[3-(2-methyl-1,8-naphthyridin-3-yl)propanoylamino]bicyclo[3.1.0]hexane-2-carboxylic acid
CID 166307488
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid
CID 159632492
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632863
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid (CID 134512877) is 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid is Cc1nc2ncccc2cc1Cn1cc(C(=O)O)c(COC(C)(C)C)n1.
What is the InChIKey of 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?
The InChIKey is PSRJPSMXUOTVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-14(8-13-6-5-7-20-17(13)21-12)9-23-10-15(18(24)25)16(22-23)11-26-19(2,3)4/h5-8,10H,9,11H2,1-4H3,(H,24,25).
What are the key properties of 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?
1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 134512877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).