2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H41FN8O2 — CID 140800775

About 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140800775) has the molecular formula C23H41FN8O2 and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 140800775
• Molecular Formula: C23H41FN8O2
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.33
• IUPAC Name: 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCC[C@@H]1C(=O)C1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1
• InChI: InChI=1S/C23H41FN8O2/c1-30-8-2-3-18(30)20(33)14-5-9-31(10-6-14)17-4-7-26-12-16(17)28-23(34)19-21(25)29-32-13-15(24)11-27-22(19)32/h14-19,21-22,26-27,29H,2-13,25H2,1H3,(H,28,34)/t15?,16?,17?,18-,19?,21?,22?/m1/s1
• InChIKey: VGRSYMSLTIGNAF-ZIRIZKAGSA-N
• XLogP: -1.80
• TPSA: 118.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	-1.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140800775) is 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H]1C(=O)C1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1.

What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VGRSYMSLTIGNAF-ZIRIZKAGSA-N. The full InChI is InChI=1S/C23H41FN8O2/c1-30-8-2-3-18(30)20(33)14-5-9-31(10-6-14)17-4-7-26-12-16(17)28-23(34)19-21(25)29-32-13-15(24)11-27-22(19)32/h14-19,21-22,26-27,29H,2-13,25H2,1H3,(H,28,34)/t15?,16?,17?,18-,19?,21?,22?/m1/s1.

What are the key properties of 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.63 g/mol, XLogP of -1.80, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[4-[4-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140800775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).