3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide

C25H33N9O2 — CID 140930384

About 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide

3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 140930384) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 140930384
• Molecular Formula: C25H33N9O2
• Molecular Weight: 491.60 g/mol
• Exact Mass: 491.28
• IUPAC Name: 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: CCn1cc(Nc2nc(N3C[C@H](NC(=O)c4ccc(C(C)C)nc4)CC[C@@H]3C)cnc2C(N)=O)cn1
• InChI: InChI=1S/C25H33N9O2/c1-5-33-13-19(11-29-33)30-24-22(23(26)35)28-12-21(32-24)34-14-18(8-6-16(34)4)31-25(36)17-7-9-20(15(2)3)27-10-17/h7,9-13,15-16,18H,5-6,8,14H2,1-4H3,(H2,26,35)(H,30,32)(H,31,36)/t16-,18+/m0/s1
• InChIKey: LWDSUAMDIBDMRK-FUHWJXTLSA-N
• XLogP: 2.84
• TPSA: 143.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.60
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide (CID 140930384) is 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide is CCn1cc(Nc2nc(N3C[C@H](NC(=O)c4ccc(C(C)C)nc4)CC[C@@H]3C)cnc2C(N)=O)cn1.

What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is LWDSUAMDIBDMRK-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-5-33-13-19(11-29-33)30-24-22(23(26)35)28-12-21(32-24)34-14-18(8-6-16(34)4)31-25(36)17-7-9-20(15(2)3)27-10-17/h7,9-13,15-16,18H,5-6,8,14H2,1-4H3,(H2,26,35)(H,30,32)(H,31,36)/t16-,18+/m0/s1.

What are the key properties of 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide?

3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-ethylpyrazol-4-yl)amino]-5-[(2S,5R)-2-methyl-5-[(6-propan-2-ylpyridine-3-carbonyl)amino]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 140930384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).