methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate

C24H23N7O3 — CID 135345254

IUPACmethyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cc3cc(NC(=O)C4CC4c4cnn(C)c4)ncc3c(N)n2)cn1
InChIInChI=1S/C24H23N7O3/c1-12-4-20(24(33)34-3)26-9-17(12)19-5-13-6-21(27-10-18(13)22(25)29-19)30-23(32)16-7-15(16)14-8-28-31(2)11-14/h4-6,8-11,15-16H,7H2,1-3H3,(H2,25,29)(H,27,30,32)
InChIKeyWFLNIYIQWIBRFH-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.84
Rot. Bonds5

About methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate

methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 135345254) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID135345254
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Namemethyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cc3cc(NC(=O)C4CC4c4cnn(C)c4)ncc3c(N)n2)cn1
InChIInChI=1S/C24H23N7O3/c1-12-4-20(24(33)34-3)26-9-17(12)19-5-13-6-21(27-10-18(13)22(25)29-19)30-23(32)16-7-15(16)14-8-28-31(2)11-14/h4-6,8-11,15-16H,7H2,1-3H3,(H2,25,29)(H,27,30,32)
InChIKeyWFLNIYIQWIBRFH-UHFFFAOYSA-N
XLogP2.84
TPSA137.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate (CID 135345254) is methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)c(-c2cc3cc(NC(=O)C4CC4c4cnn(C)c4)ncc3c(N)n2)cn1.
What is the InChIKey of methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is WFLNIYIQWIBRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-12-4-20(24(33)34-3)26-9-17(12)19-5-13-6-21(27-10-18(13)22(25)29-19)30-23(32)16-7-15(16)14-8-28-31(2)11-14/h4-6,8-11,15-16H,7H2,1-3H3,(H2,25,29)(H,27,30,32).
What are the key properties of methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 457.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-amino-6-[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 135345254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).