2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide

C24H24FN9O3 — CID 146564828

About 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide

2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 146564828) has the molecular formula C24H24FN9O3 and a molecular weight of 505.51 g/mol. Its IUPAC name is 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

• Compound Name: 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
• PubChem CID: 146564828
• Molecular Formula: C24H24FN9O3
• Molecular Weight: 505.51 g/mol
• Exact Mass: 505.20
• IUPAC Name: 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
• SMILES: COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1cnc(F)cn1)CC2
• InChI: InChI=1S/C24H24FN9O3/c1-14(13-35)34-23(30-31-32-34)18-4-3-5-21(28-18)29-24(36)17-8-16-12-33(22-11-26-20(25)10-27-22)7-6-15(16)9-19(17)37-2/h3-5,8-11,14,35H,6-7,12-13H2,1-2H3,(H,28,29,36)/t14-/m1/s1
• InChIKey: UWQKBAUBMKKXRH-CQSZACIVSA-N
• XLogP: 2.04
• TPSA: 144.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.51
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?

The IUPAC name of 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 146564828) is 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide.

What is the SMILES notation for 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?

The canonical SMILES for 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1cnc(F)cn1)CC2.

What is the InChIKey of 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?

The InChIKey is UWQKBAUBMKKXRH-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24FN9O3/c1-14(13-35)34-23(30-31-32-34)18-4-3-5-21(28-18)29-24(36)17-8-16-12-33(22-11-26-20(25)10-27-22)7-6-15(16)9-19(17)37-2/h3-5,8-11,14,35H,6-7,12-13H2,1-2H3,(H,28,29,36)/t14-/m1/s1.

What are the key properties of 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?

2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 505.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoropyrazin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 146564828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).