cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide

C61H69F3N12O7S2 — CID 163576078

About cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide

cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide (PubChem CID 163576078) has the molecular formula C61H69F3N12O7S2 and a molecular weight of 1203.43 g/mol. Its IUPAC name is cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide.

Molecular Properties

• Compound Name: cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide
• PubChem CID: 163576078
• Molecular Formula: C61H69F3N12O7S2
• Molecular Weight: 1203.43 g/mol
• Exact Mass: 1202.48
• IUPAC Name: cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide
• SMILES: C1CCCC1.Cc1cnc(N[C@H]2CCC[C@@H]2N2CCCC2)nc1-c1c[nH]c2nc(-c3c(C)noc3C)ccc12.Cc1cnc(N[C@H]2CCC[C@H]2OS(=O)(=O)C(F)(F)F)nc1-c1cn(-c2ccccc2)c2cc(-c3c(C)noc3C)ccc12.O=S=O
• InChI: InChI=1S/C30H28F3N5O4S.C26H31N7O.C5H10.O2S/c1-17-15-34-29(35-24-10-7-11-26(24)42-43(39,40)30(31,32)33)36-28(17)23-16-38(21-8-5-4-6-9-21)25-14-20(12-13-22(23)25)27-18(2)37-41-19(27)3;1-15-13-28-26(30-20-7-6-8-22(20)33-11-4-5-12-33)31-24(15)19-14-27-25-18(19)9-10-21(29-25)23-16(2)32-34-17(23)3;1-2-4-5-3-1;1-3-2/h4-6,8-9,12-16,24,26H,7,10-11H2,1-3H3,(H,34,35,36);9-10,13-14,20,22H,4-8,11-12H2,1-3H3,(H,27,29)(H,28,30,31);1-5H2;/t24-,26+;20-,22-;;/m00../s1
• InChIKey: GDOTUXWOSPRXCV-OWUKMGDLSA-N
• XLogP: 13.18
• TPSA: 242.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1203.43
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide?

The IUPAC name of cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide (CID 163576078) is cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide.

What is the SMILES notation for cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide?

The canonical SMILES for cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide is C1CCCC1.Cc1cnc(N[C@H]2CCC[C@@H]2N2CCCC2)nc1-c1c[nH]c2nc(-c3c(C)noc3C)ccc12.Cc1cnc(N[C@H]2CCC[C@H]2OS(=O)(=O)C(F)(F)F)nc1-c1cn(-c2ccccc2)c2cc(-c3c(C)noc3C)ccc12.O=S=O.

What is the InChIKey of cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide?

The InChIKey is GDOTUXWOSPRXCV-OWUKMGDLSA-N. The full InChI is InChI=1S/C30H28F3N5O4S.C26H31N7O.C5H10.O2S/c1-17-15-34-29(35-24-10-7-11-26(24)42-43(39,40)30(31,32)33)36-28(17)23-16-38(21-8-5-4-6-9-21)25-14-20(12-13-22(23)25)27-18(2)37-41-19(27)3;1-15-13-28-26(30-20-7-6-8-22(20)33-11-4-5-12-33)31-24(15)19-14-27-25-18(19)9-10-21(29-25)23-16(2)32-34-17(23)3;1-2-4-5-3-1;1-3-2/h4-6,8-9,12-16,24,26H,7,10-11H2,1-3H3,(H,34,35,36);9-10,13-14,20,22H,4-8,11-12H2,1-3H3,(H,27,29)(H,28,30,31);1-5H2;/t24-,26+;20-,22-;;/m00../s1.

What are the key properties of cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide?

cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide has a molecular weight of 1203.43 g/mol, XLogP of 13.18, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentane;[(1R,2S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenylindol-3-yl]-5-methylpyrimidin-2-yl]amino]cyclopentyl] trifluoromethanesulfonate;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]pyrimidin-2-amine;sulfur dioxide is sourced from PubChem (CID 163576078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).