8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine

C80H67F12N19O7 — CID 165050039

About 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine

8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine (PubChem CID 165050039) has the molecular formula C80H67F12N19O7 and a molecular weight of 1634.52 g/mol. Its IUPAC name is 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine.

Molecular Properties

• Compound Name: 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine
• PubChem CID: 165050039
• Molecular Formula: C80H67F12N19O7
• Molecular Weight: 1634.52 g/mol
• Exact Mass: 1633.53
• IUPAC Name: 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine
• SMILES: C#CCN.C#CCNC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(F)(F)F)cc3CC)c12.C#CCNC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(F)(F)F)cc3CN)c12.CCc1cc(C(F)(F)F)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)O)c12
• InChI: InChI=1S/C27H22F4N6O2.C26H21F4N7O2.C24H19F4N5O3.C3H5N/c1-3-8-32-25(38)23-24-19(17-11-33-22(27(29,30)31)10-15(17)4-2)13-35-26(37(24)14-36-23)34-12-18-16-7-9-39-21(16)6-5-20(18)28;1-2-6-32-24(38)22-23-18(16-10-33-21(26(28,29)30)8-14(16)9-31)12-35-25(37(23)13-36-22)34-11-17-15-5-7-39-20(15)4-3-19(17)27;1-2-12-7-19(24(26,27)28)29-8-14(12)16-10-31-23(33-11-32-20(21(16)33)22(34)35)30-9-15-13-5-6-36-18(13)4-3-17(15)25;1-2-3-4/h1,5-6,10-11,13-14H,4,7-9,12H2,2H3,(H,32,38)(H,34,35);1,3-4,8,10,12-13H,5-7,9,11,31H2,(H,32,38)(H,34,35);3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,30,31)(H,34,35);1H,3-4H2
• InChIKey: PNDGOJCVBVWLCG-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 340.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1634.52
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine?

The IUPAC name of 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine (CID 165050039) is 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine.

What is the SMILES notation for 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine?

The canonical SMILES for 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine is C#CCN.C#CCNC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(F)(F)F)cc3CC)c12.C#CCNC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(F)(F)F)cc3CN)c12.CCc1cc(C(F)(F)F)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)O)c12.

What is the InChIKey of 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine?

The InChIKey is PNDGOJCVBVWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N6O2.C26H21F4N7O2.C24H19F4N5O3.C3H5N/c1-3-8-32-25(38)23-24-19(17-11-33-22(27(29,30)31)10-15(17)4-2)13-35-26(37(24)14-36-23)34-12-18-16-7-9-39-21(16)6-5-20(18)28;1-2-6-32-24(38)22-23-18(16-10-33-21(26(28,29)30)8-14(16)9-31)12-35-25(37(23)13-36-22)34-11-17-15-5-7-39-20(15)4-3-19(17)27;1-2-12-7-19(24(26,27)28)29-8-14(12)16-10-31-23(33-11-32-20(21(16)33)22(34)35)30-9-15-13-5-6-36-18(13)4-3-17(15)25;1-2-3-4/h1,5-6,10-11,13-14H,4,7-9,12H2,2H3,(H,32,38)(H,34,35);1,3-4,8,10,12-13H,5-7,9,11,31H2,(H,32,38)(H,34,35);3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,30,31)(H,34,35);1H,3-4H2.

What are the key properties of 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine?

8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine has a molecular weight of 1634.52 g/mol, XLogP of 12.07, 20 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(aminomethyl)-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylic acid;8-[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-prop-2-ynylimidazo[1,5-c]pyrimidine-1-carboxamide;prop-2-yn-1-amine is sourced from PubChem (CID 165050039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).