[6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C60H74F6N14O4 — CID 157256502

About [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

[6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157256502) has the molecular formula C60H74F6N14O4 and a molecular weight of 1169.33 g/mol. Its IUPAC name is [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 157256502
• Molecular Formula: C60H74F6N14O4
• Molecular Weight: 1169.33 g/mol
• Exact Mass: 1168.59
• IUPAC Name: [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: CC#Cc1ccc(NC[C@@H](N)c2ccccc2)nc1C(=O)c1cccnc1N.CCCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCCN1.Nc1ncccc1C(=O)c1nc(OCC2(N)CCCC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H21N5O.C20H24F3N5O.C18H19F3N4O2.5H2/c1-2-7-16-11-12-19(26-14-18(23)15-8-4-3-5-9-15)27-20(16)21(28)17-10-6-13-25-22(17)24;1-2-5-13-12-28(11-4-10-25-13)16-8-7-15(20(21,22)23)17(27-16)18(29)14-6-3-9-26-19(14)24;19-18(20,21)12-5-6-13(27-10-17(23)7-1-2-8-17)25-14(12)15(26)11-4-3-9-24-16(11)22;;;;;/h3-6,8-13,18H,14,23H2,1H3,(H2,24,25)(H,26,27);3,6-9,13,25H,2,4-5,10-12H2,1H3,(H2,24,26);3-6,9H,1-2,7-8,10,23H2,(H2,22,24);5*1H/t18-;;;;;;;/m1......./s1
• InChIKey: AWYKVTXKUZENLZ-GHEWSIEYSA-N
• XLogP: 10.24
• TPSA: 295.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1169.33
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 157256502) is [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is CC#Cc1ccc(NC[C@@H](N)c2ccccc2)nc1C(=O)c1cccnc1N.CCCC1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCCN1.Nc1ncccc1C(=O)c1nc(OCC2(N)CCCC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is AWYKVTXKUZENLZ-GHEWSIEYSA-N. The full InChI is InChI=1S/C22H21N5O.C20H24F3N5O.C18H19F3N4O2.5H2/c1-2-7-16-11-12-19(26-14-18(23)15-8-4-3-5-9-15)27-20(16)21(28)17-10-6-13-25-22(17)24;1-2-5-13-12-28(11-4-10-25-13)16-8-7-15(20(21,22)23)17(27-16)18(29)14-6-3-9-26-19(14)24;19-18(20,21)12-5-6-13(27-10-17(23)7-1-2-8-17)25-14(12)15(26)11-4-3-9-24-16(11)22;;;;;/h3-6,8-13,18H,14,23H2,1H3,(H2,24,25)(H,26,27);3,6-9,13,25H,2,4-5,10-12H2,1H3,(H2,24,26);3-6,9H,1-2,7-8,10,23H2,(H2,22,24);5*1H/t18-;;;;;;;/m1......./s1.

What are the key properties of [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?

[6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1169.33 g/mol, XLogP of 10.24, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(1-aminocyclopentyl)methoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[[(2S)-2-amino-2-phenylethyl]amino]-3-prop-1-ynyl-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-(3-propyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157256502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).