1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C20H18FN9O2 — CID 164899832

About 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 164899832) has the molecular formula C20H18FN9O2 and a molecular weight of 435.42 g/mol. Its IUPAC name is 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 164899832
• Molecular Formula: C20H18FN9O2
• Molecular Weight: 435.42 g/mol
• Exact Mass: 435.16
• IUPAC Name: 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: COc1nn(-c2cnc(F)cn2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1
• InChI: InChI=1S/C20H18FN9O2/c1-11-6-7-16-26-27-18(30(11)16)13-4-3-5-15(24-13)25-19(31)12-10-29(28-20(12)32-2)17-9-22-14(21)8-23-17/h3-5,8-11H,6-7H2,1-2H3,(H,24,25,31)/t11-/m0/s1
• InChIKey: TUMDMHKPXVPKBJ-NSHDSACASA-N
• XLogP: 2.22
• TPSA: 125.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.42
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 164899832) is 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(-c2cnc(F)cn2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1.

What is the InChIKey of 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is TUMDMHKPXVPKBJ-NSHDSACASA-N. The full InChI is InChI=1S/C20H18FN9O2/c1-11-6-7-16-26-27-18(30(11)16)13-4-3-5-15(24-13)25-19(31)12-10-29(28-20(12)32-2)17-9-22-14(21)8-23-17/h3-5,8-11H,6-7H2,1-2H3,(H,24,25,31)/t11-/m0/s1.

What are the key properties of 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 435.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoropyrazin-2-yl)-3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164899832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).