carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten

C45H60F9N18O3W3-3 — CID 158774158

About carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten

carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten (PubChem CID 158774158) has the molecular formula C45H60F9N18O3W3-3 and a molecular weight of 1623.60 g/mol. Its IUPAC name is carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten.

Molecular Properties

• Compound Name: carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten
• PubChem CID: 158774158
• Molecular Formula: C45H60F9N18O3W3-3
• Molecular Weight: 1623.60 g/mol
• Exact Mass: 1623.35
• IUPAC Name: carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten
• SMILES: CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC(F)(F)F)C1.CN(c1ncnc2[nH]ccc12)N1CC[C@@H](C(=O)NCC(F)(F)F)C1.CN(c1ncnc2[nH]ccc12)N1CC[C@H](C(=O)NCC(F)(F)F)C1.[CH3-].[CH3-].[CH3-].[W].[W].[W]
• InChI: InChI=1S/3C14H17F3N6O.3CH3.3W/c3*1-22(12-10-2-4-18-11(10)20-8-21-12)23-5-3-9(6-23)13(24)19-7-14(15,16)17;;;;;;/h3*2,4,8-9H,3,5-7H2,1H3,(H,19,24)(H,18,20,21);3*1H3;;;/q;;;3*-1;;;/t2*9-;;;;;;;/m10......./s1
• InChIKey: YNFJPANXPSRILA-WWPIMFSTSA-N
• XLogP: 5.27
• TPSA: 231.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1623.60
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten?

The IUPAC name of carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten (CID 158774158) is carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten.

What is the SMILES notation for carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten?

The canonical SMILES for carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten is CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC(F)(F)F)C1.CN(c1ncnc2[nH]ccc12)N1CC[C@@H](C(=O)NCC(F)(F)F)C1.CN(c1ncnc2[nH]ccc12)N1CC[C@H](C(=O)NCC(F)(F)F)C1.[CH3-].[CH3-].[CH3-].[W].[W].[W].

What is the InChIKey of carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten?

The InChIKey is YNFJPANXPSRILA-WWPIMFSTSA-N. The full InChI is InChI=1S/3C14H17F3N6O.3CH3.3W/c3*1-22(12-10-2-4-18-11(10)20-8-21-12)23-5-3-9(6-23)13(24)19-7-14(15,16)17;;;;;;/h3*2,4,8-9H,3,5-7H2,1H3,(H,19,24)(H,18,20,21);3*1H3;;;/q;;;3*-1;;;/t2*9-;;;;;;;/m10......./s1.

What are the key properties of carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten?

carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten has a molecular weight of 1623.60 g/mol, XLogP of 5.27, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3R)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;(3S)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;tungsten is sourced from PubChem (CID 158774158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).