N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide

C24H32FN5O — CID 153337278

About N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide

N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide (PubChem CID 153337278) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide
• PubChem CID: 153337278
• Molecular Formula: C24H32FN5O
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.26
• IUPAC Name: N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide
• SMILES: CC(C)CN1CC[C@@H](NC(=O)C2=NC(C)Cc3ccc(-c4cnn(C)c4)cc32)[C@H](F)C1
• InChI: InChI=1S/C24H32FN5O/c1-15(2)12-30-8-7-22(21(25)14-30)28-24(31)23-20-10-17(19-11-26-29(4)13-19)5-6-18(20)9-16(3)27-23/h5-6,10-11,13,15-16,21-22H,7-9,12,14H2,1-4H3,(H,28,31)/t16?,21-,22-/m1/s1
• InChIKey: CVMSFXQPSATYPK-NKDCDXMNSA-N
• XLogP: 3.01
• TPSA: 62.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide?

The IUPAC name of N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide (CID 153337278) is N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide.

What is the SMILES notation for N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide?

The canonical SMILES for N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide is CC(C)CN1CC[C@@H](NC(=O)C2=NC(C)Cc3ccc(-c4cnn(C)c4)cc32)[C@H](F)C1.

What is the InChIKey of N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide?

The InChIKey is CVMSFXQPSATYPK-NKDCDXMNSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-15(2)12-30-8-7-22(21(25)14-30)28-24(31)23-20-10-17(19-11-26-29(4)13-19)5-6-18(20)9-16(3)27-23/h5-6,10-11,13,15-16,21-22H,7-9,12,14H2,1-4H3,(H,28,31)/t16?,21-,22-/m1/s1.

What are the key properties of N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide?

N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-3-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 153337278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).