5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C27H35N7O3 — CID 157089671

About 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 157089671) has the molecular formula C27H35N7O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 157089671
• Molecular Formula: C27H35N7O3
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.28
• IUPAC Name: 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• SMILES: Cc1cc(C(=O)C[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)ccc1C(C)(C)O
• InChI: InChI=1S/C27H35N7O3/c1-16-11-19(8-9-21(16)27(3,4)37)22(35)12-18-7-6-10-34(17(18)2)23-14-29-24(25(28)36)26(32-23)31-20-13-30-33(5)15-20/h8-9,11,13-15,17-18,37H,6-7,10,12H2,1-5H3,(H2,28,36)(H,31,32)/t17-,18+/m1/s1
• InChIKey: FTMQHYHOTJTLMW-MSOLQXFVSA-N
• XLogP: 3.47
• TPSA: 139.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 157089671) is 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cc1cc(C(=O)C[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)ccc1C(C)(C)O.

What is the InChIKey of 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The InChIKey is FTMQHYHOTJTLMW-MSOLQXFVSA-N. The full InChI is InChI=1S/C27H35N7O3/c1-16-11-19(8-9-21(16)27(3,4)37)22(35)12-18-7-6-10-34(17(18)2)23-14-29-24(25(28)36)26(32-23)31-20-13-30-33(5)15-20/h8-9,11,13-15,17-18,37H,6-7,10,12H2,1-5H3,(H2,28,36)(H,31,32)/t17-,18+/m1/s1.

What are the key properties of 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 157089671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).