5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid

C23H21N7O3 — CID 135344538

IUPAC5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C23H21N7O3/c1-11-3-19(23(32)33)25-8-16(11)18-4-12-5-20(26-9-17(12)21(24)28-18)29-22(31)15-6-14(15)13-7-27-30(2)10-13/h3-5,7-10,14-15H,6H2,1-2H3,(H2,24,28)(H,32,33)(H,26,29,31)/t14-,15+/m0/s1
InChIKeySLGOPVWCALCFES-LSDHHAIUSA-N
MW443.47 g/mol
LogP2.76
Rot. Bonds5

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

5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid (PubChem CID 135344538) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
PubChem CID135344538
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C23H21N7O3/c1-11-3-19(23(32)33)25-8-16(11)18-4-12-5-20(26-9-17(12)21(24)28-18)29-22(31)15-6-14(15)13-7-27-30(2)10-13/h3-5,7-10,14-15H,6H2,1-2H3,(H2,24,28)(H,32,33)(H,26,29,31)/t14-,15+/m0/s1
InChIKeySLGOPVWCALCFES-LSDHHAIUSA-N
XLogP2.76
TPSA148.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid (CID 135344538) is 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid is Cc1cc(C(=O)O)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
The InChIKey is SLGOPVWCALCFES-LSDHHAIUSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-11-3-19(23(32)33)25-8-16(11)18-4-12-5-20(26-9-17(12)21(24)28-18)29-22(31)15-6-14(15)13-7-27-30(2)10-13/h3-5,7-10,14-15H,6H2,1-2H3,(H2,24,28)(H,32,33)(H,26,29,31)/t14-,15+/m0/s1.
What are the key properties of 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid has a molecular weight of 443.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 135344538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).