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

C18H23N5O2 — CID 97463640

IUPAC3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCn1cc(CN2CCc3c(cnc(NCC4CC4)c3C(=O)O)C2)cn1
InChIInChI=1S/C18H23N5O2/c1-22-9-13(7-21-22)10-23-5-4-15-14(11-23)8-20-17(16(15)18(24)25)19-6-12-2-3-12/h7-9,12H,2-6,10-11H2,1H3,(H,19,20)(H,24,25)
InChIKeyLJJLPCHQQPKFDK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.89
Rot. Bonds6

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

3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463640) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463640
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCn1cc(CN2CCc3c(cnc(NCC4CC4)c3C(=O)O)C2)cn1
InChIInChI=1S/C18H23N5O2/c1-22-9-13(7-21-22)10-23-5-4-15-14(11-23)8-20-17(16(15)18(24)25)19-6-12-2-3-12/h7-9,12H,2-6,10-11H2,1H3,(H,19,20)(H,24,25)
InChIKeyLJJLPCHQQPKFDK-UHFFFAOYSA-N
XLogP1.89
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389655
3-(cyclopropylmethylamino)-7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463641
5-(methoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97381908
3-(cyclobutylamino)-7-(2-methoxyethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155843551
N-cyclobutyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 171696661
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463619
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
3-amino-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 165498774
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356
1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
6-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910942

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463640) is 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is Cn1cc(CN2CCc3c(cnc(NCC4CC4)c3C(=O)O)C2)cn1.
What is the InChIKey of 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is LJJLPCHQQPKFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-9-13(7-21-22)10-23-5-4-15-14(11-23)8-20-17(16(15)18(24)25)19-6-12-2-3-12/h7-9,12H,2-6,10-11H2,1H3,(H,19,20)(H,24,25).
What are the key properties of 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 341.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).