2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide

C29H43FN8O2 — CID 137284497

About 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide (PubChem CID 137284497) has the molecular formula C29H43FN8O2 and a molecular weight of 554.72 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide
• PubChem CID: 137284497
• Molecular Formula: C29H43FN8O2
• Molecular Weight: 554.72 g/mol
• Exact Mass: 554.35
• IUPAC Name: 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide
• SMILES: CC1(N2CCN(c3ccncc3NC(=O)c3c(N)nn4c3NCC(F)C43CCCCCCCCC3)CC2)COC1
• InChI: InChI=1S/C29H43FN8O2/c1-28(19-40-20-28)37-15-13-36(14-16-37)22-9-12-32-17-21(22)34-27(39)24-25(31)35-38-26(24)33-18-23(30)29(38)10-7-5-3-2-4-6-8-11-29/h9,12,17,23,33H,2-8,10-11,13-16,18-20H2,1H3,(H2,31,35)(H,34,39)
• InChIKey: WSTUDZFETDKCBF-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 113.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.72
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide?

The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide (CID 137284497) is 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide.

What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide?

The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide is CC1(N2CCN(c3ccncc3NC(=O)c3c(N)nn4c3NCC(F)C43CCCCCCCCC3)CC2)COC1.

What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide?

The InChIKey is WSTUDZFETDKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43FN8O2/c1-28(19-40-20-28)37-15-13-36(14-16-37)22-9-12-32-17-21(22)34-27(39)24-25(31)35-38-26(24)33-18-23(30)29(38)10-7-5-3-2-4-6-8-11-29/h9,12,17,23,33H,2-8,10-11,13-16,18-20H2,1H3,(H2,31,35)(H,34,39).

What are the key properties of 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide?

2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide has a molecular weight of 554.72 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-fluoro-N-[4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-3-pyridinyl]spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide is sourced from PubChem (CID 137284497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).