6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide

C25H34FN7O2 — CID 134187913

About 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide

6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide (PubChem CID 134187913) has the molecular formula C25H34FN7O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide
• PubChem CID: 134187913
• Molecular Formula: C25H34FN7O2
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.28
• IUPAC Name: 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide
• SMILES: COCCN(C)c1cn(C)c2ccc(Nc3nc(N[C@H](C4CC4)[C@H](C)N)c(F)cc3C(N)=O)cc12
• InChI: InChI=1S/C25H34FN7O2/c1-14(27)22(15-5-6-15)30-25-19(26)12-18(23(28)34)24(31-25)29-16-7-8-20-17(11-16)21(13-33(20)3)32(2)9-10-35-4/h7-8,11-15,22H,5-6,9-10,27H2,1-4H3,(H2,28,34)(H2,29,30,31)/t14-,22-/m0/s1
• InChIKey: HTOPARNPEUPLBS-FPTDNZKUSA-N
• XLogP: 3.18
• TPSA: 123.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide (CID 134187913) is 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide is COCCN(C)c1cn(C)c2ccc(Nc3nc(N[C@H](C4CC4)[C@H](C)N)c(F)cc3C(N)=O)cc12.

What is the InChIKey of 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide?

The InChIKey is HTOPARNPEUPLBS-FPTDNZKUSA-N. The full InChI is InChI=1S/C25H34FN7O2/c1-14(27)22(15-5-6-15)30-25-19(26)12-18(23(28)34)24(31-25)29-16-7-8-20-17(11-16)21(13-33(20)3)32(2)9-10-35-4/h7-8,11-15,22H,5-6,9-10,27H2,1-4H3,(H2,28,34)(H2,29,30,31)/t14-,22-/m0/s1.

What are the key properties of 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide?

6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.18, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 134187913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).