(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C26H24N8O4 — CID 135344783

IUPAC(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(C2=N[C@H](C(=O)O)CO2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H24N8O4/c1-12-3-20(25-32-21(11-38-25)26(36)37)28-8-17(12)19-4-13-5-22(29-9-18(13)23(27)31-19)33-24(35)16-6-15(16)14-7-30-34(2)10-14/h3-5,7-10,15-16,21H,6,11H2,1-2H3,(H2,27,31)(H,36,37)(H,29,33,35)/t15-,16+,21-/m0/s1
InChIKeyXFNJOZSHXSKSFQ-MRUHUIDDSA-N
MW512.53 g/mol
LogP2.29
Rot. Bonds6

About (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid

(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 135344783) has the molecular formula C26H24N8O4 and a molecular weight of 512.53 g/mol. Its IUPAC name is (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID135344783
Molecular FormulaC26H24N8O4
Molecular Weight512.53 g/mol
Exact Mass512.19
IUPAC Name(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(C2=N[C@H](C(=O)O)CO2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H24N8O4/c1-12-3-20(25-32-21(11-38-25)26(36)37)28-8-17(12)19-4-13-5-22(29-9-18(13)23(27)31-19)33-24(35)16-6-15(16)14-7-30-34(2)10-14/h3-5,7-10,15-16,21H,6,11H2,1-2H3,(H2,27,31)(H,36,37)(H,29,33,35)/t15-,16+,21-/m0/s1
InChIKeyXFNJOZSHXSKSFQ-MRUHUIDDSA-N
XLogP2.29
TPSA170.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 135344783) is (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid is Cc1cc(C2=N[C@H](C(=O)O)CO2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is XFNJOZSHXSKSFQ-MRUHUIDDSA-N. The full InChI is InChI=1S/C26H24N8O4/c1-12-3-20(25-32-21(11-38-25)26(36)37)28-8-17(12)19-4-13-5-22(29-9-18(13)23(27)31-19)33-24(35)16-6-15(16)14-7-30-34(2)10-14/h3-5,7-10,15-16,21H,6,11H2,1-2H3,(H2,27,31)(H,36,37)(H,29,33,35)/t15-,16+,21-/m0/s1.
What are the key properties of (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
(4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 512.53 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 135344783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).