N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C25H26F3N5O4 — CID 165146986

About N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 165146986) has the molecular formula C25H26F3N5O4 and a molecular weight of 517.51 g/mol. Its IUPAC name is N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 165146986
• Molecular Formula: C25H26F3N5O4
• Molecular Weight: 517.51 g/mol
• Exact Mass: 517.19
• IUPAC Name: N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: CC1Cc2oc(C(=O)NCc3cnc(C4CC4)cn3)c(C(F)(F)F)c2-c2nn(C[C@H]3COCCO3)cc21
• InChI: InChI=1S/C25H26F3N5O4/c1-13-6-19-20(22-17(13)11-33(32-22)10-16-12-35-4-5-36-16)21(25(26,27)28)23(37-19)24(34)31-8-15-7-30-18(9-29-15)14-2-3-14/h7,9,11,13-14,16H,2-6,8,10,12H2,1H3,(H,31,34)/t13?,16-/m0/s1
• InChIKey: DJDQNPKTGQGCPY-VYIIXAMBSA-N
• XLogP: 3.83
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.51
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The IUPAC name of N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 165146986) is N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

What is the SMILES notation for N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The canonical SMILES for N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is CC1Cc2oc(C(=O)NCc3cnc(C4CC4)cn3)c(C(F)(F)F)c2-c2nn(C[C@H]3COCCO3)cc21.

What is the InChIKey of N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The InChIKey is DJDQNPKTGQGCPY-VYIIXAMBSA-N. The full InChI is InChI=1S/C25H26F3N5O4/c1-13-6-19-20(22-17(13)11-33(32-22)10-16-12-35-4-5-36-16)21(25(26,27)28)23(37-19)24(34)31-8-15-7-30-18(9-29-15)14-2-3-14/h7,9,11,13-14,16H,2-6,8,10,12H2,1H3,(H,31,34)/t13?,16-/m0/s1.

What are the key properties of N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 517.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclopropylpyrazin-2-yl)methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 165146986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).